4Alpha-Methylcadinane-1Alpha,2Alpha,10Alpha Triol
PubChem CID: 10801091
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4alpha-methylcadinane-1alpha,2alpha,10alpha triol, CHEMBL504739, (1S,3S,4aS,5S,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,8,8a-triol |
|---|---|
| Topological Polar Surface Area | 60.7 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1S,3S,4aS,5S,8R,8aR)-3,8-dimethyl-5-propan-2-yl-1,2,3,4,4a,5,6,7-octahydronaphthalene-1,8,8a-triol |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H28O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NOMPOPNILJKBDF-GXYBRJDSSA-N |
| Fcsp3 | 1.0 |
| Logs | -3.372 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.207 |
| Compound Name | 4Alpha-Methylcadinane-1Alpha,2Alpha,10Alpha Triol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 256.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.6172931999999998 |
| Inchi | InChI=1S/C15H28O3/c1-9(2)11-5-6-14(4,17)15(18)12(11)7-10(3)8-13(15)16/h9-13,16-18H,5-8H2,1-4H3/t10-,11-,12-,13-,14+,15+/m0/s1 |
| Smiles | C[C@H]1C[C@H]2[C@@H](CC[C@@]([C@@]2([C@H](C1)O)O)(C)O)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taiwania Cryptomerioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all