Lycopane
PubChem CID: 162550
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| Compound Synonyms | Lycopane, 45316-02-7, 2,6,10,14,19,23,27,31-octamethyldotriacontane, Dotriacontane, 2,6,10,14,19,23,27,31-octamethyl-, Dotriacontane, 2,6,10,14,19,23,27,31-octamethyl, DTXSID20963365, VZVGMMPGAFGVOS-UHFFFAOYSA-N, AKOS040752800 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Hydrocarbons |
| Deep Smiles | CCCCCCCCCCCCCCC)C)))))C)))))C)))))CCCCCCCCCCCCCCCCCC)C)))))C)))))C)))))C |
| Heavy Atom Count | 40.0 |
| Classyfire Class | Prenol lipids |
| Classyfire Subclass | Tetraterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 458.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,6,10,14,19,23,27,31-octamethyldotriacontane |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 19.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C40H82 |
| Inchi Key | VZVGMMPGAFGVOS-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 29.0 |
| Synonyms | lycopane |
| Esol Class | Insoluble |
| Compound Name | Lycopane |
| Exact Mass | 562.642 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 562.642 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 563.1 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Inchi | InChI=1S/C40H82/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h33-40H,11-32H2,1-10H3 |
| Smiles | CC(C)CCCC(C)CCCC(C)CCCC(C)CCCCC(C)CCCC(C)CCCC(C)CCCC(C)C |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
- 1. Outgoing r'ship
FOUND_INto/from Connarus Monocarpus (Plant) Rel Props:Reference:ISBN:9788185042145