Lycoxanthin
PubChem CID: 5281245
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| Compound Synonyms | Lycoxanthin, all-trans-Lycoxanthin, Lycoxanthin [MI], Lycoxanthin, all-trans-, Lycopen-16-ol, all-trans-, 19891-74-8, Lycopen-16-ol, omega,omega-Caroten-16-ol, UNII-Z178H2XR4Q, Z178H2XR4Q, .psi.,.psi.-Caroten-16-ol, psi,psi-caroten-1-ol, CHEBI:6602, DTXSID00415094, (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol, .OMEGA.,.OMEGA.-CAROTEN-16-OL, psi,psi-Caroten-16-ol, (1E)-Psi,psi-carotene #, SCHEMBL115941, DTXCID60365945, LMPR01070276, C08603, Q27107265 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Carotenoids (C40, Ψ-Ψ) |
| Deep Smiles | OC/C=C/CC/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/C=C/CCC=CC)C)))))C)))))C)))))C))))))/C)))))/C)))))/C)))))/C |
| Heavy Atom Count | 41.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Tetraterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1170.0 |
| Database Name | imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (2E,6E,8E,10E,12E,14E,16E,18E,20E,22E,24E,26E)-2,6,10,14,19,23,27,31-octamethyldotriaconta-2,6,8,10,12,14,16,18,20,22,24,26,30-tridecaen-1-ol |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H56O |
| Inchi Key | IFTRFNLCKUZSNG-SFEKFZNLSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 17.0 |
| Synonyms | lycoxanthin |
| Esol Class | Poorly soluble |
| Functional Groups | 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/C=C(/C)C, C/C=C(/C)C, CC=C(C)C, CO |
| Compound Name | Lycoxanthin |
| Exact Mass | 552.433 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 552.433 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 552.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 12.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H56O/c1-33(2)18-12-21-36(5)24-15-27-37(6)25-13-22-34(3)19-10-11-20-35(4)23-14-26-38(7)28-16-29-39(8)30-17-31-40(9)32-41/h10-11,13-16,18-20,22-29,31,41H,12,17,21,30,32H2,1-9H3/b11-10+,22-13+,23-14+,27-15+,28-16+,34-19+,35-20+,36-24+,37-25+,38-26+,39-29+,40-31+ |
| Smiles | CC(=CCC/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)/C)C |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 12.0 |
| Egan Rule | False |
| Np Classifier Superclass | Carotenoids (C40) |
- 1. Outgoing r'ship
FOUND_INto/from Solanum Lycopersicum (Plant) Rel Props:Source_db:npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Melongena (Plant) Rel Props:Reference:ISBN:9788172361150