Summary
SMILES: COc1cc2O[C@@H](CC(=O)c2c(c1CC=C(C)C)O)c1cc(OC)c(c(c1)OC)OCInChI: InChI=1S/C24H28O7/c1-13(2)7-8-15-18(27-3)12-19-22(23(15)26)16(25)11-17(31-19)14-9-20(28-4)24(30-6)21(10-14)29-5/h7,9-10,12,17,26H,8,11H2,1-6H3/t17-/m0/s1InChIKey: ZRRIYQXQQBEZOK-KRWDZBQOSA-N
DeepSMILES: COcccO[C@@H]CC=O)c6cc%10CC=CC)C)))))O)))))cccOC))ccc6)OC)))OC
Scaffold Graph/Node/Bond level: O=C1CC(c2ccccc2)Oc2ccccc21
Scaffold Graph/Node level: OC1CC(C2CCCCC2)OC2CCCCC12
Scaffold Graph level: CC1CC(C2CCCCC2)CC2CCCCC12
Functional groups: CC=C(C)C; cC(C)=O; cO; cOC
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Phenylpropanoids and polyketidesClassyFire Class: Flavonoids
ClassyFire Subclass: Flavans
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Flavonoids
NP Classifier Class: Flavanones
Synonymous chemical names:artoflavanone
External chemical identifiers:CID:90473423; ZINC:ZINC000014648306
Chemical structure download