Structure Database (LMSD)

O O
Common Name
Bixindial
Systematic Name
6,6'-Diapocarotene-6,6'-dial
Synonyms
  • Bixin aldehyde
  • Bixin 6,6'-dial
LM ID
LMPR01070208
Formula
C24H28O2
Exact Mass
Calculate m/z
348.20893
Status
Active
Show lipids differing only in stereochemistry/bond geometry

Main

Classification

Category
Main Class
Sub Class
Prenol Lipids [PR]
Isoprenoids [PR01]
C40 isoprenoids (tetraterpenes) [PR0107]

String Representations

InChiKey (Click to copy)
IMKFJOUBSRCEPD-DBTAAFGWSA-N
InChi (Click to copy)
InChI=1S/C24H28O2/c1-21(13-7-15-23(3)17-9-19-25)11-5-6-12-22(2)14-8-16-24(4)18-10-20-26/h5-20H,1-4H3/b6-5+,13-7+,14-8+,17-9+,18-10+,21-11+,22-12+,23-15+,24-16+
SMILES (Click to copy)
C(/C=O)=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C=O

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Bixa orellana (#66672)
Magnoliopsida (#3398)
Biosynthesis of the food and cosmetic plant pigment bixin (annatto).,
Science, 2003
Pubmed ID: 12829782

Other Databases

CHEBI ID
133327
LIPIDBANK ID
VCA1126
PubChem CID
10215446
Carotenoid ID
CA00890

Calculated Physicochemical Properties

Heavy Atoms 26
Rings 0
Aromatic Rings 0
Rotatable Bonds 10
Van der Waals Molecular Volume 412.30
Topological Polar Surface Area 34.14
Hydrogen Bond Donors 0
Hydrogen Bond Acceptors 2
logP 5.95
Molar Refractivity 112.86

Admin

Created at
-
Updated at
5th Oct 2022