(1R,3R,4R,6S,7S,8R)-7,11-dimethyl-4-propan-2-yltricyclo[5.4.0.03,8]undec-10-en-6-ol
PubChem CID: 137640014
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| Compound Synonyms | CHEMBL4070878 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 357.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,3R,4R,6S,7S,8R)-7,11-dimethyl-4-propan-2-yltricyclo[5.4.0.03,8]undec-10-en-6-ol |
| Prediction Hob | 0.0 |
| Xlogp | 3.7 |
| Molecular Formula | C16H26O |
| Prediction Swissadme | 1.0 |
| Inchi Key | STGDIGPHLKTVET-JQOWZUPLSA-N |
| Fcsp3 | 0.875 |
| Logs | -3.956 |
| Rotatable Bond Count | 1.0 |
| Logd | 4.272 |
| Compound Name | (1R,3R,4R,6S,7S,8R)-7,11-dimethyl-4-propan-2-yltricyclo[5.4.0.03,8]undec-10-en-6-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 234.198 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 234.198 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 234.38 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5392745999999997 |
| Inchi | InChI=1S/C16H26O/c1-9(2)11-8-15(17)16(4)13-6-5-10(3)14(16)7-12(11)13/h5,9,11-15,17H,6-8H2,1-4H3/t11-,12-,13-,14-,15+,16+/m1/s1 |
| Smiles | CC1=CC[C@@H]2[C@@H]3C[C@H]1[C@]2([C@H](C[C@@H]3C(C)C)O)C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Plebeia (Plant) Rel Props:Source_db:cmaup_ingredients