Summary
SMILES: COc1cc(O)c(c(c1)OC)C(=O)/C=C/c1cccc(c1OC)OCInChI: InChI=1S/C19H20O6/c1-22-13-10-15(21)18(17(11-13)24-3)14(20)9-8-12-6-5-7-16(23-2)19(12)25-4/h5-11,21H,1-4H3/b9-8+InChIKey: LYUYMCWIWGASRX-CMDGGOBGSA-N
DeepSMILES: COcccO)ccc6)OC)))C=O)/C=C/cccccc6OC)))OC
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: 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'-hydroxy-2,3,4',6'-tetramethoxychalcone
External chemical identifiers:CID:10337542; ChEMBL:CHEMBL1254091; ZINC:ZINC000004252738; SureChEMBL:SCHEMBL5426849; MolPort-009-754-940
Chemical structure download