Summary

IMPPAT Phytochemical identifier: IMPHY002985

Phytochemical name: 3-(3,5-Dihydroxy-4-methoxyphenyl)-1-(2,4-dihydroxyphenyl)-3-hydroxypropan-1-one

Synonymous chemical names:
gliricidol

External chemical identifiers:
CID:42607727, SureChEMBL:SCHEMBL7197896

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Chemical structure information

SMILES:
COc1c(O)cc(cc1O)C(CC(=O)c1ccc(cc1O)O)O

InChI:
InChI=1S/C16H16O7/c1-23-16-14(21)4-8(5-15(16)22)11(18)7-13(20)10-3-2-9(17)6-12(10)19/h2-6,11,17-19,21-22H,7H2,1H3

InChIKey:
GSFXRVSLBASDFL-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6O)))CCC=O)cccccc6O)))O)))))))O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
OC(CCC1CCCCC1)C1CCCCC1

Scaffold Graph level:
CC(CCC1CCCCC1)C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Linear 1,3-diarylpropanoids

ClassyFire Subclass: Chalcones and dihydrochalcones

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Chalcones

NP-Likeness score: 1.121

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Chemical structure download