Summary

IMPPAT Phytochemical identifier: IMPHY000794

Phytochemical name: Gnetol

Synonymous chemical names:
gnetol

External chemical identifiers:
CID:45382232, ZINC:ZINC000013340267, SureChEMBL:SCHEMBL676425, MolPort-027-834-987

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Chemical structure information

SMILES:
Oc1cc(/C=C/c2c(O)cccc2O)cc(c1)O

InChI:
InChI=1S/C14H12O4/c15-10-6-9(7-11(16)8-10)4-5-12-13(17)2-1-3-14(12)18/h1-8,15-18H/b5-4+

InChIKey:
DQULNTWGBBNZSC-SNAWJCMRSA-N

DeepSMILES:
Occc/C=C/ccO)cccc6O)))))))))ccc6)O

Functional groups:
c/C=C/c, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C(=Cc1ccccc1)c1ccccc1

Scaffold Graph/Node level:
C1CCC(CCC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Stilbenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Stilbenoids

NP Classifier Class: Monomeric stilbenes

NP-Likeness score: 0.842

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Chemical structure download