Summary
SMILES: COc1c(OC)cc2c(c1O)c(=O)c(co2)c1ccc(cc1)OInChI: InChI=1S/C17H14O6/c1-21-13-7-12-14(16(20)17(13)22-2)15(19)11(8-23-12)9-3-5-10(18)6-4-9/h3-8,18,20H,1-2H3InChIKey: JDKYUORVNMYEIK-UHFFFAOYSA-N
DeepSMILES: COccOC))cccc6O))c=O)cco6))cccccc6))O
Scaffold Graph/Node/Bond level: O=c1c(-c2ccccc2)coc2ccccc12
Scaffold Graph/Node level: OC1C(C2CCCCC2)COC2CCCCC21
Scaffold Graph level: CC1C2CCCCC2CCC1C1CCCCC1
Functional groups: c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Isoflavonoids
ClassyFire Subclass: O-methylated isoflavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Isoflavonoids
NP Classifier Class: Isoflavones
Synonymous chemical names:5-4’-dihydroxy-6,7-dimethoxy isoflavone (7-o-methyltectoriginin), 7-methyltectorigenin (5,4'-dihydroxy-6,7-dimethoxyisoflavone), 7-o-methyltectorigenin
External chemical identifiers:CID:5487785; ChEMBL:CHEMBL1689286; ChEBI:70033
Chemical structure download