Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID003994

Phytochemical name: Morin

Synonymous chemical names:
Morin, morin (3,5,7,2'-4'pentahydroxyflavone), morin

External chemical identifiers:
CID:CID_5281670, ChEMBL:CHEMBL28626, ChEBI:CHEBI:75092, ZINC:ZINC000003881558, FDASRS:8NFQ3F76WR, SureChEMBL:SCHEMBL19984, MolPort-001-742-584

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)c1oc2cc(O)cc(c2c(=O)c1O)O

InChI:
InChI=1S/C15H10O7/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/h1-5,16-19,21H

InChIKey:
YXOLAZRVSSWPPT-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))cocccO)ccc6c=O)c%10O))))O

Functional groups:
cO, coc, c=O

Link to spectral information:
MSBNK-BS-BS003338, MSBNK-BS-BS003339, MSBNK-BS-BS003340

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cc(-c2ccccc2)oc2ccccc12

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: Flavones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavonols

NP-Likeness score: 1.598

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Chemical structure download