Summary

IMPPAT Phytochemical identifier: IMPHY012988

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

Synonymous chemical names:
2-(4-allyl-2,6-dimethoxyphenoxy)-1 -(3 ,4-methylenedioxyphenyl)-1-propanol

External chemical identifiers:
CID:10067873, ChEBI:175784

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Chemical structure information

SMILES:
C=CCc1cc(OC)c(c(c1)OC)OC(C(c1ccc2c(c1)OCO2)O)C

InChI:
InChI=1S/C21H24O6/c1-5-6-14-9-18(23-3)21(19(10-14)24-4)27-13(2)20(22)15-7-8-16-17(11-15)26-12-25-16/h5,7-11,13,20,22H,1,6,12H2,2-4H3

InChIKey:
RRMZKOOCNBRGQT-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6)OC)))OCCcccccc6)OCO5))))))))O))C

Functional groups:
C=CC, CO, c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(OCCc2ccc3c(c2)OCO3)cc1

Scaffold Graph/Node level:
C1CCC(OCCC2CCC3OCOC3C2)CC1

Scaffold Graph level:
C1CCC(CCCC2CCC3CCCC3C2)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: 0.954

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Chemical structure download