Lactucaxanthin
precursor
Showing entry for Lactucaxanthin
Identification
- PhytoHub ID
- PHUB000360
- Name
- Lactucaxanthin
- Synonyms
- Not Available
- CAS Number
- Not Available
- Average Mass
- 568.886
- Monoisotopic Mass
- 568.428031043
- Chemical Formula
- C40H56O2
- IUPAC Name
- lactucaxanthin
- InChI Key
- BIPAHAFBQLWRMC-SUOWZELTSA-N
- InChI Identifier
InChI=1S/C40H56O2/c1-29(17-13-19-31(3)21-23-37-33(5)25-35(41)27-39(37,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-38-34(6)26-36(42)28-40(38,9)10/h11-26,35-38,41-42H,27-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+/t35-,36-,37-,38-/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=C/[C@H]1C(C)=C[C@H](O)CC1(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- 8.14e-04 g/l
- LogS (ALOGPS)
- -5.84
- LogP (ALOGPS)
- 8.31
- Hydrogen Acceptors
- 2
- Hydrogen Donors
- 2
- Rotatable Bond Count
- 10
- Polar Surface Area
- 40.46
- Refractivity
- 195.17600000000002
- Polarizability
- 74.12503091254848
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -1.0905350828740774
- pKa (strongest acidic)
- 18.21727233987641
External Links
- ChEBI
- 6357
- PubChem
- 5281242
- Chemistry Dashboard
- DTXSID80415092
- MetaboLights
- MTBLC6357
- FooDB (Compounds)
- FDB001534
Taxonomy
- Family
- Terpenoids
- Class
- Carotenoids
- Sub-class
- Not Available
Spectra
No spectra information available
Food Sources
| Name | Group | |||
|---|---|---|---|---|
| Lettuce | Vegetables, Leaf vegetables | Publications | Show |
Metabolism
No metabolism information available
Lactucaxanthin