Summary

IMPPAT Phytochemical identifier: IMPHY010129

Phytochemical name: 2-(4-Allyl-2,6-dimethoxyphenoxy)-1-(3,4-dimethoxyphenyl)-1-propanol

Synonymous chemical names:
1-(3,4-dimethoxyphenyl)-2-(4-allyl-2,6-dimethoxyphenoxy)-propan-1-ol

External chemical identifiers:
CID:71437670, ChEBI:175945

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Chemical structure information

SMILES:
C=CCc1cc(OC)c(c(c1)OC)OC(C(c1ccc(c(c1)OC)OC)O)C

InChI:
InChI=1S/C22H28O6/c1-7-8-15-11-19(26-5)22(20(12-15)27-6)28-14(2)21(23)16-9-10-17(24-3)18(13-16)25-4/h7,9-14,21,23H,1,8H2,2-6H3

InChIKey:
IQBXVNSNERBTIG-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6)OC)))OCCcccccc6)OC)))OC))))))O))C

Functional groups:
C=CC, CO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(CCOc2ccccc2)cc1

Scaffold Graph/Node level:
C1CCC(CCOC2CCCCC2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCCCC2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lignans, neolignans and related compounds

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP Classifier Class: Neolignans

NP-Likeness score: 0.859

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Chemical structure download