Summary

IMPPAT Phytochemical identifier: IMPHY014493

Phytochemical name: 4-[2-(3-Hydroxyphenyl)ethyl]-2,6-dimethoxyphenol

Synonymous chemical names:
aloifol i

External chemical identifiers:
CID:86150014, SureChEMBL:SCHEMBL18563067

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Chemical structure information

SMILES:
COc1cc(CCc2cccc(c2)O)cc(c1O)OC

InChI:
InChI=1S/C16H18O4/c1-19-14-9-12(10-15(20-2)16(14)18)7-6-11-4-3-5-13(17)8-11/h3-5,8-10,17-18H,6-7H2,1-2H3

InChIKey:
HJFGFCYQHBUEMB-UHFFFAOYSA-N

DeepSMILES:
COcccCCcccccc6)O))))))))ccc6O))OC

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: 0.606

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Chemical structure download