Summary
IMPPAT Phytochemical identifier: IMPHY001826
Phytochemical name: Dihydrowogonin
Synonymous chemical names:2,3-dihydrowogonin, dihydrowogonin
External chemical identifiers:CID:11491431, ChEBI:174734, SureChEMBL:SCHEMBL9063227
Chemical structure information
SMILES:
COc1c(O)cc(c2c1OC(CC2=O)c1ccccc1)OInChI:
InChI=1S/C16H14O5/c1-20-15-12(19)7-10(17)14-11(18)8-13(21-16(14)15)9-5-3-2-4-6-9/h2-7,13,17,19H,8H2,1H3InChIKey:
FKAOWOSRYSMEBS-UHFFFAOYSA-NDeepSMILES:
COccO)cccc6OCCC6=O)))cccccc6))))))))))OFunctional 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: Flavanones
NP-Likeness score: 1.755
Chemical structure download