14-Hydroxymuurolene
PubChem CID: 14845385
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| Compound Synonyms | 14-Hydroxymuurolene, DFIKBBWSGFHYMP-ZNMIVQPWSA-N |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 311.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | [(4aS,8S,8aR)-5-methyl-8-propan-2-yl-3,4,4a,7,8,8a-hexahydronaphthalen-2-yl]methanol |
| Prediction Hob | 0.0 |
| Xlogp | 2.8 |
| Molecular Formula | C15H24O |
| Prediction Swissadme | 1.0 |
| Inchi Key | DFIKBBWSGFHYMP-ZNMIVQPWSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.976 |
| Rotatable Bond Count | 2.0 |
| Logd | 3.55 |
| Compound Name | 14-Hydroxymuurolene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 220.183 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 220.183 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 220.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8571072 |
| Inchi | InChI=1S/C15H24O/c1-10(2)13-6-4-11(3)14-7-5-12(9-16)8-15(13)14/h4,8,10,13-16H,5-7,9H2,1-3H3/t13-,14+,15-/m0/s1 |
| Smiles | CC1=CC[C@H]([C@H]2[C@@H]1CCC(=C2)CO)C(C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Juniperus Oxycedrus (Plant) Rel Props:Source_db:cmaup_ingredients