Summary

IMPPAT Phytochemical identifier: IMPHY003259

Phytochemical name: 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydrochromen-4-one

Synonymous chemical names:
dihydromorin

External chemical identifiers:
CID:362637, ChEMBL:CHEMBL465073, SureChEMBL:SCHEMBL10174295

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)C1Oc2cc(O)cc(c2C(=O)C1O)O

InChI:
InChI=1S/C15H12O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,14-19,21H

InChIKey:
QIWOFDHUQPJCJF-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))COcccO)ccc6C=O)C%10O))))O

Functional groups:
CO, 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: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Dihydroflavonols

NP-Likeness score: 2.208

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Chemical structure download