Summary
SMILES: COc1c(O)cc2c(c1O)c(=O)cc(o2)c1ccc(cc1)OInChI: InChI=1S/C16H12O6/c1-21-16-11(19)7-13-14(15(16)20)10(18)6-12(22-13)8-2-4-9(17)5-3-8/h2-7,17,19-20H,1H3InChIKey: IHFBPDAQLQOCBX-UHFFFAOYSA-N
DeepSMILES: COccO)cccc6O))c=O)cco6)cccccc6))O
Scaffold Graph/Node/Bond level: O=c1cc(-c2ccccc2)oc2ccccc12
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CCCCC12
Functional groups: c=O; cO; cOC; coc
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: O-methylated flavonoids
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavones
Synonymous chemical names:4',5,7-trihydroxy-6-methoxyflacone=dinantin, 4',5,7-trihydroxy-6-methoxyflavone, dinatin, hispidulin, hispidulin(6-methoxyapigenin), monomethyl ether (dinatin), scutellarein 6-methyl ether, scutellarein-6-methyl ether
External chemical identifiers:CID:5281628; ChEMBL:CHEMBL293776; ChEBI:75902; ZINC:ZINC000005732241; FDASRS:N7F61604C2; SureChEMBL:SCHEMBL514926; MolPort-001-740-838
Chemical structure download