Persicaxanthin
PubChem CID: 131751641
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| Compound Synonyms | Persicaxanthin, 5,6-Epoxy-5,6-dihydro-12'-apo-b-carotene-3,12'-diol, (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-12'-apo-beta,psi-carotene-3,12'-diol |
|---|---|
| Topological Polar Surface Area | 53.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Description | Isolated from plums Prunus domestica. Persicaxanthin is found in fruits and european plum. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 748.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-[(1E,3Z,5E,7E,9E,11Z)-13-hydroxy-3,7,12-trimethyltrideca-1,3,5,7,9,11-hexaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 5.7 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C25H36O3 |
| Inchi Key | JQVNCYNADFKYNN-RXCALXPUSA-N |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Synonyms | (3S,5R,6S)-5,6-Epoxy-5,6-dihydro-12'-apo-beta,psi-carotene-3,12'-diol, 5,6-Epoxy-5,6-dihydro-12'-apo-b-carotene-3,12'-diol, Persicaxanthin |
| Compound Name | Persicaxanthin |
| Kingdom | Organic compounds |
| Exact Mass | 384.266 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 384.266 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 384.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 6.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C25H36O3/c1-19(10-7-8-11-21(3)18-26)12-9-13-20(2)14-15-25-23(4,5)16-22(27)17-24(25,6)28-25/h7-15,22,26-27H,16-18H2,1-6H3/b8-7+,12-9+,15-14+,19-10+,20-13-,21-11- |
| Smiles | C/C(=C/C=C/C=C(\C)/C=C/C=C(/C)\C=C\C12C(CC(CC1(O2)C)O)(C)C)/CO |
| Defined Bond Stereocenter Count | 6.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all