Summary

IMPPAT Phytochemical identifier: IMPHY003321

Phytochemical name: Flavanone, 5,7-dihydroxy-6-methoxy-

Synonymous chemical names:
dihydrooroxylin a

External chemical identifiers:
CID:177032, ChEMBL:CHEMBL253465, ZINC:ZINC000005998641, MolPort-039-338-620

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Chemical structure information

SMILES:
COc1c(O)cc2c(c1O)C(=O)C[C@H](O2)c1ccccc1

InChI:
InChI=1S/C16H14O5/c1-20-16-11(18)8-13-14(15(16)19)10(17)7-12(21-13)9-5-3-2-4-6-9/h2-6,8,12,18-19H,7H2,1H3/t12-/m0/s1

InChIKey:
QUAPPCXFYKSDSV-LBPRGKRZSA-N

DeepSMILES:
COccO)cccc6O))C=O)C[C@H]O6)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: 1.741

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Chemical structure download