Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID000515

Phytochemical name: Galangin

Synonymous chemical names:
galangin, Galangin, 3,5,7-trihydroxyflavone

External chemical identifiers:
CID:CID_5281616, ChEMBL:CHEMBL309490, ChEBI:CHEBI:5262, ZINC:ZINC000000120273, FDASRS:142FWE6ECS, SureChEMBL:SCHEMBL117225, MolPort-001-740-694

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Chemical structure information

SMILES:
Oc1cc(O)c2c(c1)oc(c(c2=O)O)c1ccccc1

InChI:
InChI=1S/C15H10O5/c16-9-6-10(17)12-11(7-9)20-15(14(19)13(12)18)8-4-2-1-3-5-8/h1-7,16-17,19H

InChIKey:
VCCRNZQBSJXYJD-UHFFFAOYSA-N

DeepSMILES:
OcccO)ccc6)occc6=O))O))cccccc6

Functional groups:
cO, coc, c=O

Link to spectral information:
MSBNK-BS-BS003697, MSBNK-IPB_Halle-PN000121, MSBNK-BS-BS003696, MSBNK-IPB_Halle-PN000120, MSBNK-BS-BS003694, MSBNK-BS-BS003693, MSBNK-BS-BS003695

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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: 1.429

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Chemical structure download