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
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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

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