Summary

IMPPAT Phytochemical identifier: IMPHY003981

Phytochemical name: (2s)-5-Hydroxy-7-methoxyflavanone

Synonymous chemical names:
dihydrotectochrysin, flavanone, 5-hydroxy-7-methoxy, piinostrobin, pinostrobin

External chemical identifiers:
CID:73201, ChEMBL:CHEMBL254613, ChEBI:80491, ZINC:ZINC000000391894, FDASRS:SZD9LZS694, SureChEMBL:SCHEMBL7648566, MolPort-003-939-134

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Chemical structure information

SMILES:
COc1cc2O[C@@H](CC(=O)c2c(c1)O)c1ccccc1

InChI:
InChI=1S/C16H14O4/c1-19-11-7-12(17)16-13(18)9-14(20-15(16)8-11)10-5-3-2-4-6-10/h2-8,14,17H,9H2,1H3/t14-/m0/s1

InChIKey:
ORJDDOBAOGKRJV-AWEZNQCLSA-N

DeepSMILES:
COcccO[C@@H]CC=O)c6cc%10)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: 1.329

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Chemical structure download