(1S,15S)-ent-1,15-Dihydroxy-kaurene
PubChem CID: 118737254
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | CHEMBL3426512, (1S,15S)-ent-1,15-Dihydroxy-kaurene |
|---|---|
| Topological Polar Surface Area | 40.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 510.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1R,4R,8S,9R,10R,13R,15S)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecane-8,15-diol |
| Prediction Hob | 1.0 |
| Xlogp | 3.9 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LVLWCCITKVFBHC-TXRYZXOYSA-N |
| Fcsp3 | 0.9 |
| Logs | -4.062 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.679 |
| Compound Name | (1S,15S)-ent-1,15-Dihydroxy-kaurene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 304.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 7.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.1847388 |
| Inchi | InChI=1S/C20H32O2/c1-12-13-5-6-15-19(4)14(18(2,3)9-8-16(19)21)7-10-20(15,11-13)17(12)22/h13-17,21-22H,1,5-11H2,2-4H3/t13-,14-,15+,16+,17+,19-,20-/m1/s1 |
| Smiles | C[C@]12[C@@H]3CC[C@@H]4C[C@@]3(CC[C@@H]1C(CC[C@@H]2O)(C)C)[C@H](C4=C)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Jungermannia Hyalina (Plant) Rel Props:Source_db:cmaup_ingredients