Summary

IMPPAT Phytochemical identifier: IMPHY001647

Phytochemical name: Gliricidin

Synonymous chemical names:
gliricidin

External chemical identifiers:
CID:15895794, ZINC:ZINC000014759061

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Chemical structure information

SMILES:
COc1c(O)cc(cc1O)c1coc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C16H12O6/c1-21-16-12(18)4-8(5-13(16)19)11-7-22-14-6-9(17)2-3-10(14)15(11)20/h2-7,17-19H,1H3

InChIKey:
YPSHOHKAIYYZFR-UHFFFAOYSA-N

DeepSMILES:
COccO)cccc6O)))ccoccc6=O))cccc6)O

Functional groups:
c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.171

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Chemical structure download