Summary

IMPPAT Phytochemical identifier: IMPHY003061

Phytochemical name: Gigantol

Synonymous chemical names:
giganteol, gigantol

External chemical identifiers:
CID:3085362, ChEMBL:CHEMBL426871, ZINC:ZINC000013340245, SureChEMBL:SCHEMBL16125315, MolPort-046-594-438

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Chemical structure information

SMILES:
COc1cc(CCc2ccc(c(c2)O)OC)cc(c1)O

InChI:
InChI=1S/C16H18O4/c1-19-14-8-12(7-13(17)10-14)4-3-11-5-6-16(20-2)15(18)9-11/h5-10,17-18H,3-4H2,1-2H3

InChIKey:
SDXKZPQOVUDXIY-UHFFFAOYSA-N

DeepSMILES:
COcccCCcccccc6)O))OC))))))))ccc6)O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCc2ccccc2)cc1

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: 0.783

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Chemical structure download