Summary
IMPPAT Phytochemical identifier: IMPHY004673
Phytochemical name: Bixin
Synonymous chemical names:bixin
External chemical identifiers:CID:5281226, ChEMBL:CHEMBL1172615, ChEBI:3136, ZINC:ZINC000004097700, FDASRS:9L7T4VB66G, SureChEMBL:SCHEMBL9939959, MolPort-046-836-934
Chemical structure information
SMILES:
COC(=O)/C=C/C(=CC=CC(=CC=CC=C(C=CC=C(C=CC(=O)O)/C)/C)C)/CInChI:
InChI=1S/C25H30O4/c1-20(12-8-14-22(3)16-18-24(26)27)10-6-7-11-21(2)13-9-15-23(4)17-19-25(28)29-5/h6-19H,1-5H3,(H,26,27)/b7-6+,12-8+,13-9+,18-16+,19-17+,20-10+,21-11+,22-14+,23-15-InChIKey:
RAFGELQLHMBRHD-SLEZCNMESA-NDeepSMILES:
COC=O)/C=C/C=CC=CC=CC=CC=CC=CC=CC=CC=O)O))))/C)))))/C))))))C)))))/CFunctional groups:
COC(=O)/C=C/C(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)C=CC(=O)O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Prenol lipids
ClassyFire Subclass: Diterpenoids
NP Classifier Biosynthetic pathway: Terpenoids
NP Classifier Superclass: Apocarotenoids
NP Classifier Class: Miscellaneous apocarotenoids
NP-Likeness score: 1.059
Chemical structure download
