Ginnol
PubChem CID: 16057860
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| Compound Synonyms | Ginnol, (S)-nonacosan-10-ol, 2606-50-0, Celidoniol, (10S)-nonacosan-10-ol, (10S)-10-Nonacosanol, 10-Nonacosanol, (10S)-, (S)-(+)-Ginnol, nonacosan-10S-ol, 4O3O05K5Q3, UNII-4O3O05K5Q3, GINNOL, (+)-, CHEBI:32948, 10-NONACOSANOL, (S)-, CPGCVOVWHCWVTP-LJAQVGFWSA-N, 10-NONACOSANOL, (+)-, HY-N7200, LMFA05000088, AKOS040760847, DA-73722, CS-0105216, C08385, Q27115158 |
|---|---|
| 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 | Fatty alcohols |
| Deep Smiles | CCCCCCCCCCCCCCCCCCC[C@H]CCCCCCCCC)))))))))O |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty alcohols |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 288.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (10S)-nonacosan-10-ol |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 14.0 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C29H60O |
| Prediction Swissadme | 0.0 |
| Inchi Key | CPGCVOVWHCWVTP-LJAQVGFWSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 1.0 |
| Logs | -7.519 |
| Rotatable Bond Count | 26.0 |
| Logd | 5.074 |
| Synonyms | 10-nonacosanol, ginnol, nonacosan-10-ol |
| Esol Class | Poorly soluble |
| Functional Groups | CO |
| Compound Name | Ginnol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 424.464 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 424.464 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 424.8 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -9.5966476 |
| Inchi | InChI=1S/C29H60O/c1-3-5-7-9-11-12-13-14-15-16-17-18-19-20-22-24-26-28-29(30)27-25-23-21-10-8-6-4-2/h29-30H,3-28H2,1-2H3/t29-/m0/s1 |
| Smiles | CCCCCCCCCCCCCCCCCCC[C@H](CCCCCCCCC)O |
| Nring | 0.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty acyls |
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