Summary
IMPPAT Phytochemical identifier: IMPHY003506
Phytochemical name: Persicogenin
Synonymous chemical names:persicogenin
External chemical identifiers:CID:320054, ChEBI:175060, SureChEMBL:SCHEMBL13889072, MolPort-004-964-338
Chemical structure information
SMILES:
COc1cc2OC(CC(=O)c2c(c1)O)c1ccc(c(c1)O)OCInChI:
InChI=1S/C17H16O6/c1-21-10-6-12(19)17-13(20)8-15(23-16(17)7-10)9-3-4-14(22-2)11(18)5-9/h3-7,15,18-19H,8H2,1-2H3InChIKey:
LWBHKKLWSUFUNZ-UHFFFAOYSA-NDeepSMILES:
COcccOCCC=O)c6cc%10)O)))))cccccc6)O))OCFunctional groups:
cC(C)=O, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire 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: Chalcones, Flavanones
NP-Likeness score: 1.412
Chemical structure download
