Bixin
precursor
Showing entry for Bixin
Identification
- PhytoHub ID
- PHUB000465
- Name
- Bixin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 394.5033
- Monoisotopic Mass
- 394.214409448
- Chemical Formula
- C25H30O4
- IUPAC Name
- bixin
- InChI Key
- RAFGELQLHMBRHD-SLEZCNMESA-N
- InChI Identifier
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-
- SMILES
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)=O
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 1.44e-03 g/l
- LogS (ALOGPS)
- -5.44
- LogP (ALOGPS)
- 6.00
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 1
- Rotatable Bond Count
- 11
- Polar Surface Area
- 63.6
- Refractivity
- 129.0529
- Polarizability
- 47.098047147791625
- Formal Charge
- 0
- Physiological Charge
- -1
- pKa (strongest basic)
- -6.799704490920508
- pKa (strongest acidic)
- 5.006181302265473
External Links
- ChEBI
- 3136
- PubChem
- 5281226
- Chemistry Dashboard
- DTXSID1024629
- KNApSAcK
- C00003762
- FooDB (Compounds)
- FDB013987
Taxonomy
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
No food source information available
Metabolism
No metabolism information available
Bixin