Natural Product: ENC000108

NPs Basic Information

Download MOL File
Name
Salicylamide
Molecular Formula C7H7NO2
IUPAC Name*
2-hydroxybenzamide
SMILES
C1=CC=C(C(=C1)C(=O)N)O
InChI
InChI=1S/C7H7NO2/c8-7(10)5-3-1-2-4-6(5)9/h1-4,9H,(H2,8,10)
InChIKey
SKZKKFZAGNVIMN-UHFFFAOYSA-N
Synonyms
salicylamide; 2-Hydroxybenzamide; 65-45-2; o-Hydroxybenzamide; Benzamide, 2-hydroxy-; Salicylic acid amide; 2-Carbamoylphenol; Salamide; Urtosal; 2-Carboxamidophenol; Flarpirina; Morsarinas; Algamon; Algiamida; Allevin; Amidosal; Andasol; Cetamide; Dolomide; Dropsprin; Eggosalil; Liquiprin; Novecyl; Panithal; Raspberin; Saliamid; Saliamin; Salicim; Salipur; Salizell; Salymid; Serramida; Acket; Anamid; Oramid; Salrin; Afko-Sal; Amid-Sal; Benzamide, o-hydroxy-; Salicilamida; Salicilamide; Salicylamidum; Amid kyseliny salicylove; OHB; NSC 3115; MFCD00007978; 2-Hydroxy-benzamide; H.P. 34; SR 4326; NSC-3115; EM8BM710ZC; CHEMBL27577; MLS000069486; CHEBI:32114; NCGC00091414-02; SMR000046394; Salicylamide 100 microg/mL in Acetonitrile; DSSTox_CID_1726; DSSTox_RID_76295; DSSTox_GSID_21726; Salizell (VAN); Benesal (VAN); Salicilamide [DCIT]; Salicilamide [Italian]; Salicylamidum [INN-Latin]; CAS-65-45-2; Salicilamida [INN-Spanish]; CCRIS 6045; HSDB 227; Amid kyseliny salicylove [Czech]; Benzoic acid, 2-hydroxy-, amide; EINECS 200-609-3; UNII-EM8BM710ZC; BRN 0742439; Salicylamid; Samid; AI3-03454; hydroxy benzamide; Saliclamide,(S); dihydroxybenzalamine; 2-oxidanylbenzamide; Salicylamide [USP:INN:BAN:JAN]; Salicylamide (TN); Salicylamide, 99%; Spectrum_000946; Opera_ID_1684; Spectrum2_001312; Spectrum3_000564; Spectrum4_000499; Spectrum5_001032; SALICYLAMIDE [MI]; WLN: ZVR BQ; SALICYLAMIDE [INN]; SALICYLAMIDE [JAN]; EC 200-609-3; SALICYLAMIDE [HSDB]; SALICYLAMIDE [INCI]; NCIOpen2_001127; SALICYLAMIDE [VANDF]; Oprea1_069894; SCHEMBL21646; BSPBio_001948; KBioGR_001017; KBioSS_001426; SALICYLAMIDE [MART.]; 4-10-00-00169 (Beilstein Handbook Reference); DivK1c_000858; SALICYLAMIDE [USP-RS]; SALICYLAMIDE [WHO-DD]; SPECTRUM1500532; Salicylamide (JAN/USP/INN); SPBio_001403; ZINC2055; DTXSID3021726; HMS502K20; KBio1_000858; KBio2_001426; KBio2_003994; KBio2_006562; KBio3_001448; NSC3115; NINDS_000858; HMS1920P14; HMS2092G15; HMS2232E07; Pharmakon1600-01500532; component of Tolagesic (Salt/Mix); HY-B0811; SALICYLAMIDE [USP MONOGRAPH]; Tox21_111129; Tox21_201944; Tox21_302801; BBL016007; BDBM50056900; CCG-39250; NSC757318; s6404; STK301812; AKOS000120983; Tox21_111129_1; CS-7630; DB08797; NSC-757318; IDI1_000858; NCGC00091414-01; NCGC00091414-03; NCGC00091414-04; NCGC00091414-05; NCGC00091414-07; NCGC00256376-01; NCGC00259493-01; DS-16216; Salicylamide, puriss., >=99.0% (T); SBI-0051509.P003; EU-0000058; FT-0659360; S0006; EN300-18542; D01811; AB00052089_12; A835120; AH-034/32461056; SR-01000721923; BENZOIC ACID,2-HYDROXY,AMIDE SALICYLAMIDE; J-509663; Q2496906; SR-01000721923-2; BRD-K81130846-001-02-6; BRD-K81130846-001-12-5; Z68590124; Salicylamide, United States Pharmacopeia (USP) Reference Standard; Salicylamide, Pharmaceutical Secondary Standard; Certified Reference Material
CAS 65-45-2
PubChem CID 5147
ChEMBL ID CHEMBL27577
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Benzenoids
      • Class: Benzene and substituted d
        • Subclass: Benzoic acids and derivat
          • Direct Parent: Salicylamides

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: 137.14 ALogp: 1.3
HBD: 2 HBA: 2
Rotatable Bonds: 1 Lipinski's rule of five: Accepted
Polar Surface Area: 63.3 Aromatic Rings: 1
Heavy Atoms: 10 QED Weighted: 0.603

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.577 MDCK Permeability: 0.00001470
Pgp-inhibitor: 0.001 Pgp-substrate: 0.969
Human Intestinal Absorption (HIA): 0.008 20% Bioavailability (F20%): 0.012
30% Bioavailability (F30%): 0.982

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.99 Plasma Protein Binding (PPB): 74.88%
Volume Distribution (VD): 0.976 Fu: 41.65%

ADMET: Metabolism

CYP1A2-inhibitor: 0.415 CYP1A2-substrate: 0.294
CYP2C19-inhibitor: 0.066 CYP2C19-substrate: 0.063
CYP2C9-inhibitor: 0.055 CYP2C9-substrate: 0.371
CYP2D6-inhibitor: 0.152 CYP2D6-substrate: 0.357
CYP3A4-inhibitor: 0.015 CYP3A4-substrate: 0.173

ADMET: Excretion

Clearance (CL): 11.683 Half-life (T1/2): 0.424

ADMET: Toxicity

hERG Blockers: 0.052 Human Hepatotoxicity (H-HT): 0.067
Drug-inuced Liver Injury (DILI): 0.574 AMES Toxicity: 0.061
Rat Oral Acute Toxicity: 0.094 Maximum Recommended Daily Dose: 0.008
Skin Sensitization: 0.187 Carcinogencity: 0.33
Eye Corrosion: 0.018 Eye Irritation: 0.969
Respiratory Toxicity: 0.42
*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
ENC000104 0.629 D07HBX 0.688
ENC000409 0.500 D0F5ZM 0.468
ENC000166 0.486 D0GY5Z 0.409
ENC000076 0.486 D0C4YC 0.400
ENC000021 0.485 D0N3UL 0.391
ENC000028 0.485 D0Y0JH 0.379
ENC001547 0.463 D0A5CM 0.373
ENC000303 0.462 D0X9RY 0.368
ENC001049 0.459 D01WJL 0.366
ENC000033 0.444 D0L5PO 0.364
*Note: the compound similarity was calculated by RDKIT.