Summary

IMPPAT Phytochemical identifier: IMPHY014306

Phytochemical name: trans-Methylbixin

Synonymous chemical names:
methyl bixin

External chemical identifiers:
CID:14413719, ChEBI:176013, ZINC:ZINC000034290496

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Chemical structure information

SMILES:
COC(=O)/C=C/C(=C/C=C/C(=C/C=C/C=C(/C=C/C=C(/C=C/C(=O)OC)C)C)/C)/C

InChI:
InChI=1S/C26H32O4/c1-21(13-9-15-23(3)17-19-25(27)29-5)11-7-8-12-22(2)14-10-16-24(4)18-20-26(28)30-6/h7-20H,1-6H3/b8-7+,13-9+,14-10+,19-17+,20-18+,21-11+,22-12+,23-15+,24-16+

InChIKey:
UNTSJRBZLAUZBX-VBBCTIIMSA-N

DeepSMILES:
COC=O)/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=O)OC)))))C)))))C))))))/C)))))/C

Functional groups:
COC(=O)/C=C/C(C)=C/C=C/C(C)=C/C=C/C=C(C)/C=C/C=C(C)/C=C/C(=O)OC

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Lipids and lipid-like molecules

ClassyFire Class: Prenol lipids

ClassyFire Subclass: Diterpenoids

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Apocarotenoids

NP Classifier Class: Miscellaneous apocarotenoids

NP-Likeness score: 0.895

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Chemical structure download