Violaxanthin
precursor
Showing entry for Violaxanthin
Identification
- PhytoHub ID
- PHUB000369
- Name
- Violaxanthin
- Systematic Name
- Not Available
- Synonyms
- Zeaxanthin diepoxide
- CAS Number
- Not Available
- Average Mass
- 600.884
- Monoisotopic Mass
- 600.417860283
- Chemical Formula
- C40H56O4
- IUPAC Name
- (1R,3S,6S)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaen-1-yl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
- InChI Key
- SZCBXWMUOPQSOX-WVJDLNGLSA-N
- InChI Identifier
InChI=1S/C40H56O4/c1-29(17-13-19-31(3)21-23-39-35(5,6)25-33(41)27-37(39,9)43-39)15-11-12-16-30(2)18-14-20-32(4)22-24-40-36(7,8)26-34(42)28-38(40,10)44-40/h11-24,33-34,41-42H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t33-,34-,37+,38+,39-,40-/m0/s1
- SMILES
C\C(\C=C\C=C(/C)\C=C\[C@@]12O[C@]1(C)C[C@@H](O)CC2(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 Violaxanthin
Calculated Properties
- Solubility (ALOGPS)
- 5.68e-04 g/l
- LogS (ALOGPS)
- -6.02
- LogP (ALOGPS)
- 8.33
- Hydrogen Acceptors
- 4
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 10
- Polar Surface Area
- 65.52
- Refractivity
- 192.327
- Polarizability
- 75.12060517869699
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -2.7377022034819802
- pKa (strongest acidic)
- 14.838654038442145
- Number of Rings
- 4
- Rule of Five
- No
- Bioavailability
- No
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- Yes
External Links
- ChEBI
- 35288
- PubChem
- 448438
- MetaboLights
- MTBLC35288
- PeakForestCompound
- 000321
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 | |||
|---|---|---|---|---|
| Algae | Aquatic foods | Publications | Show | |
| Bell pepper (Capsicum annuum, mild varieties) | Vegetables, Fruit vegetables | Publications | Show | |
| Common cabbage | Vegetables, Cabbages | 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 | |
| Lettuce | Vegetables, Leaf vegetables | Publications | Show | |
| Mango | Fruit, Tropical fruits | Publications | Show | |
| Paprika | Herbs and Spices | Publications | Show | |
| Peach | Fruit, Drupes | 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