Summary
SMILES: CC(=CCc1c(O)ccc(c1O)C(=O)/C=C/c1ccc(cc1)O)CInChI: InChI=1S/C20H20O4/c1-13(2)3-9-16-19(23)12-10-17(20(16)24)18(22)11-6-14-4-7-15(21)8-5-14/h3-8,10-12,21,23-24H,9H2,1-2H3/b11-6+InChIKey: DUWPGRAKHMEPCM-IZZDOVSWSA-N
DeepSMILES: CC=CCccO)cccc6O))C=O)/C=C/cccccc6))O)))))))))))))))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
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:corylifolinin, isobavachalcone
External chemical identifiers:CID:5281255; ChEMBL:CHEMBL253467; ChEBI:28106; ZINC:ZINC000003925823; FDASRS:ZWO2SC993A; SureChEMBL:SCHEMBL600137; MolPort-005-944-955
Chemical structure download