(1S,3R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol
PubChem CID: 20055158
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| Compound Synonyms | SCHEMBL668986 |
|---|---|
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | (+)-trans-sabinol is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other (+)-trans-sabinol is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-trans-sabinol can be found in common sage, dill, and sunflower, which makes (+)-trans-sabinol a potential biomarker for the consumption of these food products. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 176.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,3R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 2.6 |
| Is Pains | False |
| Molecular Formula | C10H18O |
| Prediction Swissadme | 0.0 |
| Inchi Key | DZVXRFMREAADPP-UPBARMNASA-N |
| Fcsp3 | 1.0 |
| Rotatable Bond Count | 1.0 |
| Synonyms | trans-Sabinol |
| Compound Name | (1S,3R,5S)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 154.136 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 154.136 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 154.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.3368686 |
| Inchi | InChI=1S/C10H18O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6-9,11H,4-5H2,1-3H3/t7?,8-,9+,10-/m0/s1 |
| Smiles | CC1[C@@H]2C[C@]2(C[C@H]1O)C(C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anethum Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Helianthus Annuus (Plant) Rel Props:Source_db:fooddb_chem_all - 3. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all