Summary

IMPPAT Phytochemical identifier: IMPHY004596

Phytochemical name: Norbixin

Synonymous chemical names:
norbixin

External chemical identifiers:
CID:5281249, ChEMBL:CHEMBL1602127, ChEBI:7623, FDASRS:E8M59E17AI, SureChEMBL:SCHEMBL42367

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Chemical structure information

SMILES:
C/C(=CC=CC=C(C=CC=C(C=CC(=O)O)/C)/C)/C=C/C=C(/C=C/C(=O)O)C

InChI:
InChI=1S/C24H28O4/c1-19(11-7-13-21(3)15-17-23(25)26)9-5-6-10-20(2)12-8-14-22(4)16-18-24(27)28/h5-18H,1-4H3,(H,25,26)(H,27,28)/b6-5+,11-7+,12-8+,17-15+,18-16+,19-9+,20-10+,21-13+,22-14+

InChIKey:
ZVKOASAVGLETCT-UOGKPENDSA-N

DeepSMILES:
C/C=CC=CC=CC=CC=CC=CC=O)O))))/C)))))/C))))))/C=C/C=C/C=C/C=O)O))))C

Functional groups:
CC(/C=C/C=C(C)/C=C/C(=O)O)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O

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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: 0.941

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Chemical structure download