Summary

IMPPAT Phytochemical identifier: IMPHY008108

Phytochemical name: Erianin

Synonymous chemical names:
erianin

External chemical identifiers:
CID:356759, ChEMBL:CHEMBL10557, ZINC:ZINC000001612328, SureChEMBL:SCHEMBL1535646, MolPort-003-987-477

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Chemical structure information

SMILES:
COc1cc(CCc2ccc(c(c2)O)OC)cc(c1OC)OC

InChI:
InChI=1S/C18H22O5/c1-20-15-8-7-12(9-14(15)19)5-6-13-10-16(21-2)18(23-4)17(11-13)22-3/h7-11,19H,5-6H2,1-4H3

InChIKey:
UXDFUVFNIAJEGM-UHFFFAOYSA-N

DeepSMILES:
COcccCCcccccc6)O))OC))))))))ccc6OC)))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: 0.551

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Chemical structure download