psi,psi-Carotene-16,16'-diol
PubChem CID: 131752092
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| Compound Synonyms | 16,16'-Dihydroxylycopene, y,y-Carotene-16,16'-diol, .psi.,.psi.-Carotene-16,16'-diol, psi,psi-Carotene-16,16'-diol |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 42.0 |
| Description | Constituent of Lycopersicon esculentum (tomato). Lycophyll is found in garden tomato and garden tomato (variety). |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1100.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E,8Z,10Z,12Z,14Z,16Z,18E,20E,22Z,24E,26E,30E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaene-1,32-diol |
| Nih Violation | True |
| Class | Prenol lipids |
| Xlogp | 13.1 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Tetraterpenoids |
| Molecular Formula | C40H56O2 |
| Inchi Key | JEVVKJMRZMXFBT-BONGSULASA-N |
| Rotatable Bond Count | 18.0 |
| State | Solid |
| Synonyms | .psi.,.psi.-Carotene-16,16'-diol, 16,16'-Dihydroxylycopene, psi,psi-carotene-1,1'-diol, psi,psi-Carotene-16,16'-diol, y,y-Carotene-16,16'-diol, .psi.,.psi.-carotene-16,16'-diol, Psi,psi-carotene-1,1'-diol, Psi,psi-carotene-16,16'-diol, Y,y-carotene-16,16'-diol |
| Compound Name | psi,psi-Carotene-16,16'-diol |
| Kingdom | Organic compounds |
| Exact Mass | 568.428 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 568.428 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 568.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 13.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Inchi | InChI=1S/C40H56O2/c1-33(19-11-21-35(3)23-13-25-37(5)27-15-29-39(7)31-41)17-9-10-18-34(2)20-12-22-36(4)24-14-26-38(6)28-16-30-40(8)32-42/h9-14,17-26,29-30,41-42H,15-16,27-28,31-32H2,1-8H3/b10-9-,19-11-,20-12+,23-13-,24-14+,33-17-,34-18+,35-21-,36-22-,37-25+,38-26+,39-29+,40-30+ |
| Smiles | C/C(=C\C=C\C(=C/C=C/C(=C/C=C\C=C(\C)/C=C\C=C(\C)/C=C\C=C(/C)\CC/C=C(\C)/CO)/C)\C)/CC/C=C(\C)/CO |
| Defined Bond Stereocenter Count | 13.0 |
| Taxonomy Direct Parent | Xanthophylls |
- 1. Outgoing r'ship
FOUND_INto/from Lycopersicon Esculentum (Plant) Rel Props:Source_db:fooddb_chem_all