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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL165
CHEMBL165
Compound Name RESVERATROL
ChEMBL Synonyms Resveratrol | 3,5,4'-Trihydroxy-trans-stilbene | (E)-resveratrol
Max Phase 0
Trade Names
Molecular Formula C14H12O3

Additional synonyms for CHEMBL165 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1ccc(\C=C\c2cc(O)cc(O)c2)cc1
Standard InChI InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(1 ...
Download InChI
Standard InChI Key LUKBXSAWLPMMSZ-OWOJBTEDSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL165

Metabolites for CHEMBL165

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
228.2 228.0786 3.09 2 60.69 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 3 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
9.22 - 3.02 3.02 2 17 0.69

Structural Alerts

There are 3 structural alerts for CHEMBL165. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:LUKBXSAWLPMMSZ-OWOJBTEDSA-N
PubChem SID: 124883089 SID: 124883091 SID: 124883093 SID: 124883094 SID: 144203808 SID: 144208572 SID: 144213690 SID: 170466838 SID: 17388746 SID: 26747076 SID: 26747077 SID: 26751586 SID: 26751587 SID: 458391 SID: 49734167 SID: 50104223 SID: 50104224 SID: 50104225 SID: 50126366 SID: 85231343 SID: 855986 SID: 90341821
Wikipedia Resveratrol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL165



ACToR 501-36-0 31100-06-8
Atlas resveratrol
BindingDB 23926
ChEBI 45713
DrugBank DB02709
EPA CompTox Dashboard DTXSID4031980
FDA SRS Q369O8926L
Guide to Pharmacology 8741
Human Metabolome Database HMDB03747
IBM Patent System 48E27592C82D26A05D449E60E775B1B8
KEGG Ligand C03582
LINCS LSM-42917
LipidMaps LMPK13090005
Mcule MCULE-5678456463
MolPort MolPort-019-999-364 MolPort-002-499-801
NIH Clinical Collection SAM001246888
Nikkaji J524.694F J11.775G
NMRShiftDB 21968
PDBe STL
PubChem 445154
PubChem: Drugs of the Future 12015089
PubChem: Thomson Pharma 14822845
Selleck Resveratrol
SureChEMBL SCHEMBL19425
ZINC ZINC00006787

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/LUKBXSAWLPMMSZ-OWOJBTEDSA-N spacer
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