Summary
SMILES: COc1cc(O)c(c(c1C(=O)/C=C/c1ccccc1)O)CC=C(C)CInChI: InChI=1S/C21H22O4/c1-14(2)9-11-16-18(23)13-19(25-3)20(21(16)24)17(22)12-10-15-7-5-4-6-8-15/h4-10,12-13,23-24H,11H2,1-3H3/b12-10+InChIKey: GAIPTWIUKUYUNA-ZRDIBKRKSA-N
DeepSMILES: COcccO)ccc6C=O)/C=C/cccccc6))))))))))O))CC=CC)C
Scaffold Graph/Node/Bond level: O=C(C=Cc1ccccc1)c1ccccc1
Scaffold Graph/Node level: OC(CCC1CCCCC1)C1CCCCC1
Scaffold Graph level: CC(CCC1CCCCC1)C1CCCCC1
Functional groups: CC=C(C)C; c/C=C/C(c)=O; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Linear 1,3-diarylpropanoids
ClassyFire Subclass: Chalcones and dihydrochalcones
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Chalcones
Synonymous chemical names:2',4'-dihydroxy-6'-methoxy-3'-prenylchalcone, 2',4'-dihydroxy-6'-methoxy-3'-prenylchcone
External chemical identifiers:CID:14188385; ZINC:ZINC000014819175
Chemical structure download