NPs Basic Information

Name
Resveratrol
Molecular Formula C14H12O3
IUPAC Name*
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)O)O
InChI
InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-9,15-17H/b2-1+
InChIKey
LUKBXSAWLPMMSZ-OWOJBTEDSA-N
Synonyms
resveratrol; 501-36-0; trans-resveratrol; 3,4',5-Trihydroxystilbene; 3,5,4'-Trihydroxystilbene; (E)-5-(4-Hydroxystyryl)benzene-1,3-diol; (E)-resveratrol; Resvida; 5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; 3,4',5-Stilbenetriol; 3,4',5-Trihydroxy-trans-stilbene; SRT-501; SRT501; SRT 501; 3,5,4'-Trihydroxy-trans-stilbene; (E)-5-(p-Hydroxystyryl)resorcinol; Cuspidatin; Resveratol; Biofort; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3-benzenediol; trans-3,4',5-trihydroxystilbene; Resveratrol p 5; 5-[(E)-2-(4-hydroxyphenyl)vinyl]benzene-1,3-diol; Resveratrol(e)-form; 5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol; CHEBI:45713; Melinjo resveratrol 20; C14H12O3; Srt 501m; 1,3-Benzenediol, 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-; CHEMBL165; NSC-327430; (E)-5-[2-(4-hydroxyphenyl)ethenyl]-1,3-benzendiol; 5-((1E)-2-(4-Hydroxyphenyl)ethenyl)-1,3-benzenediol; MLS000069735; 1,3-Benzenediol, 5-(2-(4-hydroxyphenyl)ethenyl)-, (E)-; Ca 1201; trans-3,4',5 - trihydroxystilbene; BIA 6-512; BIA-6-512; NSC327430; Q369O8926L; SMR000058206; DSSTox_CID_11980; DSSTox_RID_78898; DSSTox_GSID_31980; 133294-37-8; MFCD00133799; STL; 3,4',5-trihydroxy-stilbene; SR-01000000163; trans-1,2-(3,4',5-Trihydroxydiphenyl)ethylene; NSC 327430; CHEBI:27881; CCRIS 8952; UNII-Q369O8926L; HSDB 7571; 3fts; 4jaz; 4qer; Resveratrol, E-; Resveratrol,(S); KUC104385N; Stilbene, 2f; TaxusChinensisiRehd; NCGC00015894-02; CAS-501-36-0; Prestwick_619; Resveratrol, trans-; KSC-10-164; RM-1812; Opera_ID_586; RESVERATROL [MI]; Prestwick2_000508; Prestwick3_000508; Spectrum5_000552; RESVERATROL [HSDB]; RESVERATROL [INCI]; R 5010; RESVERATROL [VANDF]; 1,3-Benzenediol, 5-[(1Z)-2-(4-hydroxyphenyl)ethenyl]-; RESVERATROL [MART.]; Lopac0_001111; REGID_for_CID_6240; SCHEMBL19425; BSPBio_000435; BSPBio_001114; BSPBio_003461; RESVERATROL [WHO-DD]; MLS001055357; MLS001076538; MLS001424228; MLS002207121; MLS002222231; SPECTRUM1502223; CU-01000001503-3; BPBio1_000479; cid_445154; GTPL8741; SGCUT00007; ZINC6787; Resveratrol, analytical standard; DTXSID4031980; REGID_for_CID_445154; BDBM23926; Resveratrol, >=99% (HPLC); AMY5760; 2l98; BCPP000091; HMS1362H15; HMS1569F17; HMS1792H15; HMS1921N04; HMS1990H15; HMS2052I09; HMS2096F17; HMS2232A18; HMS3263O04; HMS3403H15; HMS3412O14; HMS3649A20; HMS3676O14; TRANS-RESVERATROL [USP-RS]; ACT09778; BCP01416; to_000079; Tox21_110257; Tox21_201374; Tox21_303376; Tox21_501111; AC-727; BBL028252; CCG-38874; HB4055; LMPK13090005; s1396; STL146386; AKOS005720936; Tox21_110257_1; CS-1050; DB02709; KS-5047; LP01111; NC00349; SDCCGMLS-0002998.P003; SDCCGSBI-0051080.P003; IDI1_002152; NCGC00017352-05; NCGC00017352-06; NCGC00017352-07; NCGC00017352-08; NCGC00017352-09; NCGC00017352-10; NCGC00017352-11; NCGC00017352-12; NCGC00017352-13; NCGC00017352-14; NCGC00017352-15; NCGC00017352-16; NCGC00017352-17; NCGC00017352-18; NCGC00017352-19; NCGC00017352-24; NCGC00017352-31; NCGC00017352-39; NCGC00024003-00; NCGC00024003-04; NCGC00024003-05; NCGC00024003-06; NCGC00024003-07; NCGC00024003-08; NCGC00024003-09; NCGC00024003-10; NCGC00024003-11; NCGC00024003-12; NCGC00024003-13; NCGC00024003-14; NCGC00257465-01; NCGC00258925-01; NCGC00261796-01; AS-12413; HY-16561; EU-0101111; R0071; Resveratrol, Vetec(TM) reagent grade, 98%; SW196786-4; trans [2,5,4'-trihydroxydiphenyl] ethylene; 01R360; C03582; N88795; 5-[2-(4-hydroxyphenyl)vinyl]-1,3-benzenediol; AB00052942-29; AB00052942_31; trans-Resveratrol 100 microg/mL in Acetonitrile; A827984; Q407329; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzoldiol; SR-01000000163-3; SR-01000000163-4; SR-01000000163-9; 5-[(E)-2-(4-Hydroxyphenyl)ethenyl]benzol-1,3-diol; 5-[(E)-2-(4-Hydroxyphenyl)vinyl]-1,3-benzenediol; 5[(E)-2-(4-Hydroxyphenyl)-vinyl]benzene 1,3-diol; BRD-K25591257-001-01-2; BRD-K80738081-001-06-2; BRD-K80738081-001-07-0; BRD-K80738081-001-09-6; BRD-K80738081-001-10-4; BRD-K80738081-001-23-7; SR-01000000163-10; SR-01000000163-11; SR-01000000163-16; (E)-1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; (E)1-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)ethene; 5-[(1E)-2-(4-Hydroxyphenyl)ethenyl]-1,3,benzenediol; Resveratrol, certified reference material, TraceCERT(R); 1,3-Benzenediol, 5-[(E)-2-(4-hydroxyphenyl)ethenyl]-; Resveratrol, European Pharmacopoeia (EP) Reference Standard; 5-((E)-2-(4-HYDROXYPHENYL)-ETHENYL) BENZENE-1,3 DIOL; 533C1DA0-4104-42B5-9D32-9265F40857E4; trans-Resveratrol, United States Pharmacopeia (USP) Reference Standard; 3,4',5-Trihydroxy-trans-stilbene 5-[(1E)-2-(4-hydroxyphenyl)ethenyl]-1,3-benzenediol; (E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol(E)-5-(2-(4-hydroxyphenyl)ethenyl)-1,3-benzenediol; 31100-06-8
CAS 501-36-0
PubChem CID 445154
ChEMBL ID CHEMBL165
*Note: the IUPAC Name was collected from PubChem.
Chemical Classification:
  • Kingdom: Organic compounds
    • Superclass: Phenylpropanoids and poly
      • Class: Stilbenes
        • Subclass: No Rank at Level Subclass
          • Direct Parent: Stilbenes

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: 228.24 ALogp: 3.1
HBD: 3 HBA: 3
Rotatable Bonds: 2 Lipinski's rule of five: Accepted
Polar Surface Area: 60.7 Aromatic Rings: 2
Heavy Atoms: 17 QED Weighted: 0.686

NPs ADMET Properties*

ADMET: Absorption

Caco-2 Permeability: -4.916 MDCK Permeability: 0.00001430
Pgp-inhibitor: 0.455 Pgp-substrate: 0.102
Human Intestinal Absorption (HIA): 0.012 20% Bioavailability (F20%): 0.264
30% Bioavailability (F30%): 0.055

ADMET: Distribution

Blood-Brain-Barrier Penetration (BBB): 0.032 Plasma Protein Binding (PPB): 97.27%
Volume Distribution (VD): 0.822 Fu: 2.62%

ADMET: Metabolism

CYP1A2-inhibitor: 0.976 CYP1A2-substrate: 0.11
CYP2C19-inhibitor: 0.229 CYP2C19-substrate: 0.056
CYP2C9-inhibitor: 0.356 CYP2C9-substrate: 0.957
CYP2D6-inhibitor: 0.629 CYP2D6-substrate: 0.915
CYP3A4-inhibitor: 0.943 CYP3A4-substrate: 0.163

ADMET: Excretion

Clearance (CL): 15.661 Half-life (T1/2): 0.924

ADMET: Toxicity

hERG Blockers: 0.109 Human Hepatotoxicity (H-HT): 0.374
Drug-inuced Liver Injury (DILI): 0.032 AMES Toxicity: 0.076
Rat Oral Acute Toxicity: 0.451 Maximum Recommended Daily Dose: 0.549
Skin Sensitization: 0.959 Carcinogencity: 0.287
Eye Corrosion: 0.047 Eye Irritation: 0.97
Respiratory Toxicity: 0.405
*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
ENC003688 0.629 D04XEG 0.453
ENC001624 0.629 D07EXH 0.412
ENC002499 0.603 D03UOT 0.373
ENC002581 0.537 D09ZQN 0.333
ENC000801 0.508 D0J7RK 0.325
ENC001533 0.425 D06KYN 0.314
ENC001420 0.421 D0R6BI 0.305
ENC001550 0.405 D00LFB 0.305
ENC003636 0.395 D0Y2NE 0.300
ENC001848 0.395 D0V9EN 0.297
*Note: the compound similarity was calculated by RDKIT.