Summary
SMILES: COc1cc2OCOc2cc1C1COc2c(C1=O)c(O)cc(c2)OInChI: InChI=1S/C17H14O7/c1-21-12-5-14-13(23-7-24-14)4-9(12)10-6-22-15-3-8(18)2-11(19)16(15)17(10)20/h2-5,10,18-19H,6-7H2,1H3InChIKey: MNXNLFUKHPLPES-UHFFFAOYSA-N
DeepSMILES: COcccOCOc5cc9CCOccC6=O))cO)ccc6)O
Scaffold Graph/Node/Bond level: O=C1c2ccccc2OCC1c1ccc2c(c1)OCO2
Scaffold Graph/Node level: OC1C(C2CCC3OCOC3C2)COC2CCCCC21
Scaffold Graph level: CC1C2CCCCC2CCC1C1CCC2CCCC2C1
Functional groups: c1cOCO1; cC(C)=O; cO; 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: Isoflavanones
Synonymous chemical names:cicerin
External chemical identifiers:CID:46881084; ChEMBL:CHEMBL1088034; ChEBI:174460
Chemical structure download