Sabinol
PubChem CID: 94147
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| Compound Synonyms | (+)-cis-Sabinol, Sabinol, 471-16-9, (+)-Sabinol, 40873MPA3A, EINECS 207-436-2, cis-Sabinol, CHEBI:15387, (1S,3R,5S)-4-methylidene-1-(propan-2-yl)bicyclo[3.1.0]hexan-3-ol, (1S,3R,5S)-4-METHYLIDENE-1-PROPAN-2-YLBICYCLO[3.1.0]HEXAN-3-OL, Bicyclo(3.1.0)hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1S,3R,5S)-, Bicyclo[3.1.0]hexan-3-ol, 4-methylene-1-(1-methylethyl)-, (1S,3R,5S)-, 4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol, 4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol, CHEBI:26590, Thuj-4(10)-en-3-ol, UNII-40873MPA3A, (1S,3R,5S)-4-methylidene-1-propan-2-ylbicyclo(3.1.0)hexan-3-ol, (1S,3R,5S)-4-methylidene-1-(propan-2-yl)bicyclo(3.1.0)hexan-3-ol, (1S,3R,5S)-sabinol, SCHEMBL1356240, DTXSID90883208, MDFQXBNVOAKNAY-BBBLOLIVSA-N, (1s,3r)-thuj-4(10)-en-3-ol, LMPR0102060023, C02213, Q4403492, (1s,3r,5s)-1-isopropyl-4-methylidenebicyclo[3.1.0]hexan-3-ol, (1S,3R,5S)-4-Methylene-1-(1-methylethyl)bicyclo[3.1.0]hexan-3-ol |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 20.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC2CC12 |
| Np Classifier Class | Menthane monoterpenoids, Thujane monoterpenoids |
| Deep Smiles | CC[C@@]C[C@@H]3C=C)[C@@H]C6)O))))))C |
| Heavy Atom Count | 11.0 |
| Classyfire Class | Prenol lipids |
| Description | (+)-cis-sabinol, also known as sabinol or sabinol, (1alpha,3alpha,5alpha)-isomer, 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, (+)-cis-sabinol is considered to be an isoprenoid lipid molecule (+)-cis-sabinol is slightly soluble (in water) and an extremely weak acidic compound (based on its pKa). (+)-cis-sabinol can be found in peppermint, which makes (+)-cis-sabinol a potential biomarker for the consumption of this food product. |
| Scaffold Graph Node Level | CC1CCC2CC12 |
| Classyfire Subclass | Monoterpenoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 207.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (1S,3R,5S)-4-methylidene-1-propan-2-ylbicyclo[3.1.0]hexan-3-ol |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 1.8 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C10H16O |
| Scaffold Graph Node Bond Level | C=C1CCC2CC12 |
| Prediction Swissadme | 1.0 |
| Inchi Key | MDFQXBNVOAKNAY-BBBLOLIVSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.8 |
| Logs | -2.016 |
| Rotatable Bond Count | 1.0 |
| Logd | 1.446 |
| Synonyms | cis-sabinol, sabinol, sabinol (3)*, sabinol† |
| Esol Class | Very soluble |
| Functional Groups | C=C(C)C, CO |
| Compound Name | Sabinol |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.12 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 152.12 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 152.23 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -1.8455693999999996 |
| Inchi | InChI=1S/C10H16O/c1-6(2)10-4-8(10)7(3)9(11)5-10/h6,8-9,11H,3-5H2,1-2H3/t8-,9-,10+/m1/s1 |
| Smiles | CC(C)[C@@]12C[C@@H]1C(=C)[C@@H](C2)O |
| Nring | 2.0 |
| Np Classifier Biosynthetic Pathway | Terpenoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Monoterpenoids |
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