Neoxanthin
precursor
Showing entry for Neoxanthin
Identification
- PhytoHub ID
- PHUB000366
- Name
- Neoxanthin
- Systematic Name
- (9'Z)-Neoxanthin
- Synonyms
- 9'-cis-neoxanthin
- CAS Number
- 14660-91-4
- Average Mass
- 600.884
- Monoisotopic Mass
- 600.417860283
- Chemical Formula
- C40H56O4
- IUPAC Name
- Not Available
- InChI Key
- PGYAYSRVSAJXTE-OQASCVKESA-N
- InChI Identifier
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-22-35-36(5,6)25-33(41)27-38(35,9)43)15-11-12-16-30(2)18-14-20-32(4)23-24-40-37(7,8)26-34(42)28-39(40,10)44-40/h11-21,23-24,33-34,41-43H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,24-23+,29-15+,30-16+,31-19+,32-20-/t22-,33-,34-,38+,39+,40-/m0/s1
- SMILES
[H]C(=[C@@]=C1C(C)(C)C[C@H](O)C[C@@]1(C)O)C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(\C)/C=C/[C@@]12O[C@]1(C)C[C@@H](O)CC2(C)C
- Structure
Structure for Neoxanthin
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- Not Available
- Hydrogen Donors
- Not Available
- Rotatable Bond Count
- Not Available
- Polar Surface Area
- Not Available
- Refractivity
- Not Available
- Polarizability
- Not Available
- Formal Charge
- Not Available
- Physiological Charge
- Not Available
- pKa (strongest basic)
- Not Available
- pKa (strongest acidic)
- Not Available
- Number of Rings
- Not Available
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 32446
- PubChem
- 5281247
- MetaboLights
- MTBLC32446
- Carotenoids DB
- CA00422
Taxonomy as Food Phytochemical
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra from Phytohub
| Spectrum Type | Instrument Type | Ion Mode | Collision Energy Level | View | Peaks | |
|---|---|---|---|---|---|---|
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Bell pepper (Capsicum annuum, mild varieties) | Vegetables, Fruit vegetables | Publications | Show | |
| Common pea | Pulses and beans | Publications | Show | |
| Corn salad | Vegetables, Leaf vegetables | Publications | Show | |
| Endive | Vegetables, Leaf vegetables | Publications | Show | |
| Leek | Vegetables, Onion-family | Publications | Show | |
| Rocket salad | Vegetables, Leaf vegetables | Publications | Show | |
| Spinach | Vegetables, Leaf vegetables | Publications | Show |
Role as Biomarker of intake
No roles as Biomarker of intake found
Metabolism
No metabolism information available
Inter-Individual Variations in Metabolism
No data on inter-individual variations available