Persicachrome
PubChem CID: 131751989
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| Compound Synonyms | Persicachrome, 5,8-Epoxy-5,8-dihydro-12'-apo-b-carotene-3,12'-diol, (3S)-5,8-Epoxy-5,8-dihydro-12'-apo-beta,psi-carotene-3,12'-diol |
|---|---|
| Topological Polar Surface Area | 49.7 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 28.0 |
| Description | Yellow pigment from plums Prunus domestica. Persicachrome is found in fruits and european plum. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 746.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-[(2Z,4E,6E,8Z,10E)-12-hydroxy-6,11-dimethyldodeca-2,4,6,8,10-pentaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 5.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Diterpenoids |
| Molecular Formula | C25H36O3 |
| Inchi Key | MLVPRCYREVPVES-KWTPPHGWSA-N |
| Rotatable Bond Count | 6.0 |
| Synonyms | (3S)-5,8-Epoxy-5,8-dihydro-12'-apo-beta,psi-carotene-3,12'-diol, 5,8-Epoxy-5,8-dihydro-12'-apo-b-carotene-3,12'-diol |
| Compound Name | Persicachrome |
| 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 | 5.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C25H36O3/c1-18(10-7-8-11-19(2)17-26)12-9-13-20(3)22-14-23-24(4,5)15-21(27)16-25(23,6)28-22/h7-14,21-22,26-27H,15-17H2,1-6H3/b8-7-,12-9+,18-10+,19-11+,20-13- |
| Smiles | C/C(=C\C=C/C=C(\C)/C=C/C=C(/C)\C1C=C2C(CC(CC2(O1)C)O)(C)C)/CO |
| Defined Bond Stereocenter Count | 5.0 |
| Taxonomy Direct Parent | Diterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Domestica (Plant) Rel Props:Source_db:fooddb_chem_all