(+)-Sabinone
PubChem CID: 439592
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| Compound Synonyms | (+)-Sabinone, CHEBI:15403, (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-one, (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-one, 67690-48-6, dehydrothujone, (1S,5S)-4-methylidene-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-one, (1S,5S)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexan-3-one, (1S,5S)-sabinone, C01868, SCHEMBL12189735, LMPR0102120049, Q27089419 |
|---|---|
| Topological Polar Surface Area | 17.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Inchi Key | PBLWMCQDAGOTPV-SCZZXKLOSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | -sabinone |
| Heavy Atom Count | 11.0 |
| Compound Name | (+)-Sabinone |
| Description | (+)-sabinone 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. Thus, (+)-sabinone is considered to be an isoprenoid lipid molecule (+)-sabinone is practically insoluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). (+)-sabinone can be found in common sage, which makes (+)-sabinone a potential biomarker for the consumption of this food product. |
| Exact Mass | 150.104 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 150.104 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 239.0 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 150.22 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (1S,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-one |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C10H14O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8H,3-5H2,1-2H3/t8-,10+/m1/s1 |
| Smiles | CC(C)[C@@]12C[C@@H]1C(=C)C(=O)C2 |
| Xlogp | 2.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C10H14O |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Officinalis (Plant) Rel Props:Source_db:fooddb_chem_all