Summary

IMPPAT Phytochemical identifier: IMPHY009265

Phytochemical name: (2S)-5-hydroxy-6,7-dimethoxy-2-phenyl-2,3-dihydrochromen-4-one

Synonymous chemical names:
onysilin

External chemical identifiers:
CID:12041831, ZINC:ZINC000014807053, MolPort-039-338-699

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Chemical structure information

SMILES:
COc1cc2O[C@@H](CC(=O)c2c(c1OC)O)c1ccccc1

InChI:
InChI=1S/C17H16O5/c1-20-14-9-13-15(16(19)17(14)21-2)11(18)8-12(22-13)10-6-4-3-5-7-10/h3-7,9,12,19H,8H2,1-2H3/t12-/m0/s1

InChIKey:
FAUVORGACLCWKX-LBPRGKRZSA-N

DeepSMILES:
COcccO[C@@H]CC=O)c6cc%10OC)))O)))))cccccc6

Functional groups:
cC(C)=O, cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire 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: 1.504

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Chemical structure download