Flavoxanthin
precursor
Showing entry for Flavoxanthin
Identification
- PhytoHub ID
- PHUB000358
- Name
- Flavoxanthin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 584.885
- Monoisotopic Mass
- 584.422945663
- Chemical Formula
- C40H56O3
- IUPAC Name
- flavoxanthin
- InChI Key
- JRHJXXLCNATYLS-NGZWBNMCSA-N
- InChI Identifier
InChI=1S/C40H56O3/c1-28(17-13-18-30(3)21-22-35-32(5)23-33(41)25-38(35,6)7)15-11-12-16-29(2)19-14-20-31(4)36-24-37-39(8,9)26-34(42)27-40(37,10)43-36/h11-24,33-36,41-42H,25-27H2,1-10H3/b12-11+,17-13+,19-14+,22-21+,28-15+,29-16+,30-18+,31-20+/t33-,34-,35-,36+,40+/m0/s1
- SMILES
C\C(\C=C\C=C(/C)\C=C\[C@H]1C(C)=C[C@H](O)CC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)[C@@H]1O[C@]2(C)C[C@@H](O)CC(C)(C)C2=C1
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 7.82e-04 g/l
- LogS (ALOGPS)
- -5.87
- LogP (ALOGPS)
- 8.13
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 9
- Polar Surface Area
- 49.69
- Refractivity
- 193.62630000000007
- Polarizability
- 73.79950570293931
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.3909953909044286
- pKa (strongest acidic)
- 15.128958926789295
Taxonomy
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Elderberry | Fruit, Berries | Publications | Show | |
| European plum | Fruit, Drupes | Publications | Show |
Metabolism
No metabolism information available
Flavoxanthin