NPs Basic Information

Name
Ethanol
Molecular Formula C2H6O
IUPAC Name*
ethanol
SMILES
CCO
InChI
InChI=1S/C2H6O/c1-2-3/h3H,2H2,1H3
InChIKey
LFQSCWFLJHTTHZ-UHFFFAOYSA-N
Synonyms
ethanol; ethyl alcohol; alcohol; 64-17-5; grain alcohol; Methylcarbinol; Ethyl hydroxide; Ethyl hydrate; Tecsol; EtOH; Algrain; Anhydrol; Hydroxyethane; Alkohol; Jaysol S; Potato alcohol; 1-Hydroxyethane; Absolute ethanol; Ethanol 200 proof; etanol; Aethylalkohol; Denatured alcohol; Denatured ethanol; Aethanol; Alcool ethylique; Fermentation alcohol; Alcohol, diluted; Tecsol C; Dehydrated ethanol; Alcool etilico; Alcohol, ethyl; Etanolo; Jaysol; Etylowy alkohol; absolute alcohol; Alcohol dehydrated; Alkoholu etylowego; Dehydrated alcohol; Ethyl alcohol usp; Alcohol, anhydrous; Synasol; Ethyl alcohol anhydrous; Denatured alcohol CD-5; Denatured alcohol SD-1; Alcohol anhydrous; Denatured alcohol CD-5a; Denatured alcohol SD-3a; Denatured alcohol CD-10; Denatured alcohol SD-17; Denatured alcohol SD-28; Denatured alcohol SD-30; Denatured alcohol SD-13a; Denatured alcohol SD-23a; Denatured alcohol SD-39b; Denatured alcohol SD-39c; Denatured alcohol SD-40m; Ethylalcohol; Alcohol, dehydrated; SD Alchol 23-hydrogen; Alkohol [German]; Aethanol [German]; Etanolo [Italian]; Ethyl alcohol & water, 5%; Thanol; Ethanol, undenatured; Spirt; Alcare Hand Degermer; Ethyl alcohol & water, 10%; Ethyl alcohol & water, 20%; Ethyl alcohol & water, 30%; Ethyl alcohol & water, 40%; Ethyl alcohol & water, 50%; Ethyl alcohol & water, 60%; Ethyl alcohol & water, 70%; Ethyl alcohol & water, 80%; Ethyl alcohol & water, 95%; Ethyl alcohol & water, 96%; Ethyl alc; Ethylalcohol [Dutch]; Ethyl alcohol and water; Alcohol, Absolute; NCI-C03134; Alcohol (ethyl alcohol); Alcohol [USP]; Ethanol [JAN]; Ethicap; Hinetoless; Caswell No. 430; Reagent Alcohol; Infinity Pure; Aethylalkohol [German]; Desinfektol EL; Anhydrous alcohol; Anhydrous ethanol; Ethyl alcohol in alcoholic beverages; FEMA No. 2419; FEMA Number 2419; Alcool etilico [Italian]; Etylowy alkohol [Polish]; Ethyl alcohol, undenatured; Alcool ethylique [French]; C2H5OH; Alkoholu etylowego [Polish]; HSDB 82; SDM No. 37; AI3-01706; CCRIS 945; Ethylicum; Alcohol,ethyl; Edible alcohol; Ethanol Vapor; SD alcohol 23-hydrogen; Alcohol denatured; Alcohol,dehydrated; Ru-Tuss Hydrocodone Liquid; Alcohol, denatured; Ethanol, denatured; Ethanol, Anhydrous; NSC 85228; Ethanol, dehydrated; Alcohol (USP); EPA Pesticide Chemical Code 001501; Absolute ethyl alcohol; Ethyl alcohol, absolute; Punctilious ethyl alcohol; Ethyl alcohol, dehydrated; Ethanol Absolute; Ethanol, anhydrous, denatured; Alcohol determination--alcohol; CHEBI:16236; NSC-85228; 3K9958V90M; Ethanol, CDA 19; Ethanol, 200 Proof; Ethyl Alcohol Denatured; Ethylol; PM-6193-200; Ethanol Anhydrous; 68475-56-9; EOH; Sekundasprit; alcohol etilico; MFCD00003568; Ethanol denatured; 42845-45-4; Lux; SY Fresh M; Esumiru WK 88; Ethanol (9CI); ALCOHOL DENAT.; Anhydrol PM 4085; Ethyl alcohol, anhydrous; Ethyl alcohol (Ethanol); ALCOHOL 5% IN DEXTROSE 5%; EINECS 200-578-6; SDA 3A; Alcoholum; Ethanolum; diluted Alcohol; Ethanol in alcoholic beverages; Vodka; Alcohol,sda; ethanol-; 100C.NPA; CDA 19; IMS 99; Sd alcohol; Ethanol, dimer; Alcohol,denatured; UNII-3K9958V90M; Alcohol (ethyl); undenatured Ethanol; AHD 2000; SDA 40-2; VANILLA Powder; EINECS 270-649-4; Eosin Y, Alcoholic; ABLYSINOL; Alcohol 95%; Alcohol 190 proof; CDA 19-200; Ethyl Alcohol 40%; Ethyl Alcohol 70%; Ethyl Alcohol 75%; Ethyl Alcohol 80%; Ethyl Alcohol 90%; ALCOHOL [VANDF]; ALCOHOL [HSDB]; ALCOHOL [INCI]; Ethanol, 99.8%; Ethanol, technical grade; Reagent Alcohol, 70%; Reagent Alcohol, 80%; Reagent Alcohol, 95%; ALCOHOL [II]; CH3CH2OH; Dehydrated ethanol (TN); Ethyl Alcohol 47.5%; ETHYLICUM [HPUS]; DSSTox_CID_584; Ethanol, standard for GC; ALCOHOL [USP-RS]; ALCOHOL [WHO-IP]; ETHANOL [WHO-DD]; ETHANOL [WHO-IP]; Industrial Alcohol (IMS); bmse000297; CHEMBL545; EC 200-578-6; Ethanol, >=99.5%; Anhydrous ethanol (JP17); ETHYL ALCOHOL [MI]; Reagent Alcohol, for HPLC; Ethanol, analytical standard; DSSTox_RID_75674; SD 3A; DSSTox_GSID_20584; Ru-Tuss Liquid (Salt/Mix); Ethanol, USP, 99.5%; ETHYL ALCOHOL [FHFI]; WLN: Q2; Reagent Alcohol, ACS reagent; ALCOHOL [ORANGE BOOK]; ALCOHOL,ETHYL [VANDF]; B3324 [LANGUAL]; Ethanol, p.a., 99.8%; Reagent Alcohol, reagent grade; SDM No. 37 (Salt/Mix); GTPL2299; ANHYDROUS ETHANOL [JAN]; AVAGARD COMPONENT ALCOHOL; HBN-1 COMPONENT ETHANOL; Alcohol dehydrated, >=85.0%; DTXSID9020584; Ethanol, technical grade, 93%; Ethanol, technical grade, 99%; UNII-7528N5H79B; CHEBI:17246; Ethanol, 95.1-96.9%; Ru-Tuss Expectorant (Salt/Mix); ALCOHOL, DEHYDRATED [II]; ALCOHOLUM [WHO-IP LATIN]; ETHANOLUM [WHO-IP LATIN]; Ethyl alcohol (6CI,7CI,8CI); ALCOHOL,DEHYDRATED [VANDF]; ETHANOL COMPONENT OF HBN-1; Ethanol, technical grade, 93.8%; Ethanol, technical grade, 99.5%; ALCOHOL COMPONENT OF AVAGARD; ALCOHOL, DEHYDRATED [VANDF]; DEHYDRATED ALCOHOL [USP-RS]; Ethanol, >=99.5%, for HPLC; NSC85228; STR05604; Ethyl Alcohol 95% ACS/USP Grade; Tox21_202510; STL264245; Ethanol 2000 microg/mL in Methanol; Ethanol, 95.0%, (190 proof); Ethanol, p.a., ACS reagent, 96%; Ethanol, tested according to Ph.Eur.; Ethanol, USP, 70.0-72.0%; Ethanol, USP, 94.9-96.0%; AKOS009104571; Ethanol, Reagent (Denatured SDA 3A); 7528N5H79B; DB00898; Ethanol 10000 microg/mL in Methanol; Ethanol, absolute, >=99.8% (GC); Ethanol, UV HPLC spectroscopic, 95%; UN 1170; CAS-64-17-5; Ethanol, denatured, (UK IDA standard); Ethanol, SAJ first grade, >=99.5%; Ethyl Alcohol Absolute, ACS/USP Grade; Ethanol, JIS special grade, >=99.5%; Ethanol, p.a., ACS reagent, 95.0%; Ethanol, technical grade, 92.6-93.8; NCGC00091458-01; NCGC00091458-02; NCGC00260059-01; Reagent Alcohol, spectrophotometric grade; 8024-45-1; DEHYDRATED ALCOHOL [USP MONOGRAPH]; ETHANOL, ANHYDROUS [EP MONOGRAPH]; Q153; Ethanol, absolute, for HPLC, >=99.8%; Ethanol, anhydrous, denatured, HPLC Grade; Ethyl Alcohol 95% (Synthetic) FCC Grade; Ethanol, ACS reagent, 99.8, 200 proof; Ethanol, JIS first grade, 94.8-95.8%; Ethyl Alcohol Absolute (Organic) USP Grade; E1510; ETHANOL IN ALCOHOLIC BEVERAGES [IARC]; Ethanol, denatured, Spectrophotometric Grade; Ethanol, JIS special grade, 94.8-95.8%; FT-0625729; FT-0625731; FT-0625732; FT-0668048; Ethanol, >=99.5%, SAJ super special grade; Reagent Alcohol, anhydrous, <=0.003% water; Reagent Alcohol, anhydrous, <=0.005% water; C00469; D00068; Ethanol, >=99.5%, suitable for fluorescence; Ethanol, Alcohol Reagent, anhydrous, denatured; Ethyl Alcohol 95% (Grain Derived) FCC Grade; Ethyl Alcohol 95% (Synthetic) ACS/USP Grade; Ethyl Alcohol Absolute (Synthetic) ACS/USP Grade; SR-01000944357; Ethanol, puriss. p.a., absolute, >=99.8% (GC); SR-01000944357-1; Ethanol, denatured (5 % IPA, 5 % n-propylacetate); Reagent Alcohol, used for histology tissue preparation; Ethanol, anhydrous, denatured, Spectrophotometric Grade; Ethyl alcohol, Pure, 190 proof, for molecular biology; Ethyl alcohol, Pure, 200 proof, anhydrous, >=99.5%; Ethyl alcohol, Pure, 200 proof, for molecular biology; Ethanol 70%, denatured with 1% MEK, 1% IPA, 10 mg/L; Ethanol, absolute, >=99.8% (GC), sales not in Germany; Ethyl Alcohol Absolute (Dehydrated) USP, BP/EP, JP Grade; Ethyl alcohol, Pure, 200 proof, ACS reagent, >=99.5%; Reagent Alcohol, 70%, used for histology tissue preparation; Reagent Alcohol, 80%, used for histology tissue preparation; 1E37B0D2-6209-4B03-A57D-500F3223C2DA; Alcohol, United States Pharmacopeia (USP) Reference Standard; Ethanol, >=99.5%, suitable for absorption spectrum analysis; Ethyl alcohol, Pure, 200 proof, HPLC/spectrophotometric grade; Reagent Alcohol, 95%, Used for histology tissue preparation; Ethanol, p.a., ACS reagent, reag. ISO, reag. Ph. Eur., 99.9%; Ethyl alcohol, Pure, 190 proof, meets USP testing specifications; Ethyl alcohol, Pure, 200 proof, anhydrous, ZerO2(TM), >=99.5%; Ethyl alcohol, Pure, 200 proof, meets USP testing specifications; Specially Denatured Alcohol, 190 proof, SDA 23A, contains Acetone; Specially Denatured Alcohol, 190 proof, SDA 2B-3, contains Toluene; Specially Denatured Alcohol, 190 proof, SDA 30, contains Methanol; Specially Denatured Alcohol, 190 proof, SDA 3A, contains Methanol; Specially Denatured Alcohol, 200 proof, SDA 23A, contains Acetone; Specially Denatured Alcohol, 200 proof, SDA 2B-3, contains Toluene; Specially Denatured Alcohol, 200 proof, SDA 30, contains Methanol; Specially Denatured Alcohol, 200 proof, SDA 3A, contains Methanol; Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; Dehydrated Alcohol, United States Pharmacopeia (USP) Reference Standard; Ethanol standards 10% (v/v), 10 % (v/v) in H2O, analytical standard; Ethanol, absolute, for gradient elution, sales not in Germany, >=99.9%; Ethanol, absolute, for HPLC, sales not in Germany1, >=99.8% (GC); Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17826); Ethyl Alcohol Absolute (Dehydrated, Synthetic) USP, BP/EP, JP Grade; Ethyl alcohol, Pure, 140 proof, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 160 proof, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 190 proof, ACS spectrophotometric grade, 95.0%; Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains Heptanes; Specially Denatured Alcohol, 190 proof, SDA 2B-4, contains n-Heptane; Specially Denatured Alcohol, 190 proof, SDA 2B-5, contains n-Hexane; Specially Denatured Alcohol, 190 proof, SDA 35A, contains Ethyl acetate; Specially Denatured Alcohol, 190 proof, SDA 3C, contains Isopropanol; Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains Heptanes; Specially Denatured Alcohol, 200 proof, SDA 2B-4, contains n-Heptane; Specially Denatured Alcohol, 200 proof, SDA 2B-5, contains n-Hexane; Specially Denatured Alcohol, 200 proof, SDA 35A, contains Ethyl acetate; Specially Denatured Alcohol, 200 proof, SDA 3C, contains Isopropanol; Alcohol Determination-Alcohol, United States Pharmacopeia (USP) Reference Standard; Dehydrated Alcohol, Pharmaceutical Secondary Standard; Certified Reference Material; Ethanol Calibration Kit, ampule of 10 x 1.2 mL, certified reference material; Ethanol, absolute, reag. ISO, reag. Ph. Eur., >=99.8% (GC), liquid (clear, colorless); Ethanol, puriss. p.a., ACS reagent, absolute alcohol, without additive, A15 o1, >=99.8%; Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96% (v/v); Ethanol, puriss., meets analytical specification of Ph.??Eur., BP, 96.0-97.2%; Ethanol-10, 10 mg/dL in H2O, pack of 10 x 1.2 mL ampules, certified reference material; Ethanol-150, 150 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-25, 25 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-300, 300 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-40, 40 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-50, 50 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-500, 500 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-80, 80 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-80, 80 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material; Specially Denatured Alcohol, 190 proof, SDA 39C, contains Diethyl phthalate; Specially Denatured Alcohol, 200 proof, SDA 39C, contains Diethyl phthalate; Ethanol, absolute, denaturated with 0.5-1.5 Vol.% 2-butanone and approx. 0.001% Bitrex (GC), >=98% (GC); Ethanol, absolute, semiconductor grade PURANAL(TM) (Honeywell 17833), sales not in Germany, >=99.8% (vol.); Ethanol, BioUltra, for molecular biology, >=99.8%, (absolute alcohol, without additive, A15 o1); Ethanol, puriss., over molecular sieve (H2O <=0.01%), absolute alcohol, without additive, A15 o1, >=99.8%; Ethanol, purum, absolute ethanol, denaturated with 1% cyclohexane, A15 CYCLO1, >=99.8% (based on denaturant-free substance); Ethanol, purum, absolute ethanol, denaturated with 2% 2-butanone, A15 MEK1, >=99.8% (based on denaturant-free substance); Ethanol, purum, absolute ethanol, denaturated with 4.8% isopropanol, A15 IPA1, >=99.8% (based on denaturant-free substance); Ethanol-100 (10 ampules/kit), 100 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-100 (5 ampules/kit), 100 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material; Ethanol-20 (10 ampules/kit), 20 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-20 (5 ampules/kit), 20 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material; Ethanol-200 (10 ampules/kit), 200 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-200 (5 ampules/kit), 200 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material; Ethanol-400 (10 ampules/kit), 400 mg/dL in H2O, ampule of 10 x 1.2 mL, certified reference material; Ethanol-400 (5 ampules/kit), 400 mg/dL in H2O, ampule of 5 x 5 mL, certified reference material; Ethyl alcohol, Pure, 140 proof, meets water USP testing specifications, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 190 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required; Ethyl alcohol, Pure, 200 proof, ACS reagent, meets USP testing specifications, Excise Tax-free, Permit for use required; Specially Denatured Alcohol, 190 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate; Specially Denatured Alcohol, 190 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate; Specially Denatured Alcohol, 200 proof, SDA 40 (40-2), contains 0.14 % (v/v) tert-Butyl alcohol and Brucine sulfate; Specially Denatured Alcohol, 200 proof, SDA 40B, contains tert-Butyl alcohol and denatonium benzoate
CAS 64-17-5
PubChem CID 702
ChEMBL ID CHEMBL545
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Organic oxygen compounds
      • Class: Organooxygen compounds
        • Subclass: Alcohols and polyols
          • Direct Parent: Primary alcohols

ClassyFire Version 1.0
PMID:27867422

NPs Species Source

Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference
Endophyte ID Endophyte Name Family Genus Taxonomy ID GenBank ID Closest GenBank ID Reference

NPs Content

*Note: The vaules in Content Percentage are calculated by dividing the content value by the maximum content value in NP Content.
**Note: The units with different NP content, due to their incomparable values, are separated into different tables.

NPs Biological Activity

Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name
Bioactivity Name Target ID Target Name Target Type Target Organism Target Organism ID Potency of Bioactivity Activity Type Value Unit Endophyte ID Endophyte Name

NPs Physi-Chem Properties

Molecular Weight: 46.07 ALogp: -0.1
HBD: 1 HBA: 1
Rotatable Bonds: 0 Lipinski's rule of five: Accepted
Polar Surface Area: 20.2 Aromatic Rings: 0
Heavy Atoms: 3 QED Weighted: 0.419

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.228 MDCK Permeability: 0.00098993
Pgp-inhibitor: 0 Pgp-substrate: 0.142
Human Intestinal Absorption (HIA): 0.004 20% Bioavailability (F20%): 0.003
30% Bioavailability (F30%): 0.006

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.931 Plasma Protein Binding (PPB): 9.58%
Volume Distribution (VD): 0.849 Fu: 87.04%

ADMET: Metabolism

CYP1A2-inhibitor: 0.288 CYP1A2-substrate: 0.736
CYP2C19-inhibitor: 0.036 CYP2C19-substrate: 0.807
CYP2C9-inhibitor: 0.007 CYP2C9-substrate: 0.407
CYP2D6-inhibitor: 0.005 CYP2D6-substrate: 0.44
CYP3A4-inhibitor: 0.005 CYP3A4-substrate: 0.207

ADMET: Excretion

Clearance (CL): 7.814 Half-life (T1/2): 0.823

ADMET: Toxicity

hERG Blockers: 0.027 Human Hepatotoxicity (H-HT): 0.028
Drug-inuced Liver Injury (DILI): 0.044 AMES Toxicity: 0.02
Rat Oral Acute Toxicity: 0.059 Maximum Recommended Daily Dose: 0.013
Skin Sensitization: 0.23 Carcinogencity: 0.185
Eye Corrosion: 0.921 Eye Irritation: 0.989
Respiratory Toxicity: 0.028
*Note: the ADMET properties was calculated by ADMETlab 2.0. Reference: PMID: 33893803.

Similar Compounds*

Compounds similar to EMNPD with top10 similarity:

Similar NPs Similar Drugs
NPs ID NPs 2D Structure Similarity Score TTD ID Drug 2D Structure Similarity Score
ENC000017 0.357 D00AMQ 1.000
ENC001474 0.313 D05KEZ 0.333
ENC000307 0.313 D0C1QZ 0.211
ENC000058 0.308 D0U3IG 0.176
ENC000057 0.308 D0X2IE 0.167
ENC000147 0.308 D04CRL 0.167
ENC000288 0.308 D09KDV 0.167
ENC000139 0.294 D03VZH 0.160
ENC000046 0.286 D01OXI 0.158
ENC000396 0.263 D02UDJ 0.150
*Note: the compound similarity was calculated by RDKIT.