Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID014450

Phytochemical name: 2,5-Dihydroxy-7-methoxyflavanone

Synonymous chemical names:
2,5,-dihydroxy-7-methoxyflavanone

External chemical identifiers:
CID:CID_182239, SureChEMBL:SCHEMBL6565166

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Chemical structure information

SMILES:
COc1cc2OC(O)(CC(=O)c2c(c1)O)c1ccccc1

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

InChIKey:
RBTSKEDOUJLPHO-UHFFFAOYSA-N

DeepSMILES:
COcccOCO)CC=O)c6cc%10)O)))))cccccc6

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

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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: 1.41

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Chemical structure download