TRANS-SOBREROL
Product Information
Molecular Formula
C10H18O2
Molecular Weight
170.25
Description
trans-Sobrerol is a natural product found in Boswellia sacra.
Synonyms
TRANS-5-HYDROXY-ALPHA,ALPHA,4-TRIMETHYL-3-CYCLOHEXENE-1-METHANOL; TRANS-SOBREROL; TRANS-P-MENTH-1-ENE-6,8-DIOL; TRANS-P-MENTH-6-ENE-2,8-DIOL; trans-5-hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol; trans-5-Hydroxy-α,α,4-trimethyl-3-cyclohexene-1-met
IUPAC Name
(1S,5R)-5-(2-hydroxypropan-2-yl)-2-methylcyclohex-2-en-1-ol
SMILES
CC1=CCC(CC1O)C(C)(C)O
InChI
InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1
InChI Key
OMDMTHRBGUBUCO-BDAKNGLRSA-N
Boiling Point
270-271 °C (lit.)
Melting Point
130-132 °C (lit.)
Flash Point
Not applicable
Purity
0.99
Safety Information
Hazards
H319
Precautionary Statement
P305 + P351 + P338
Computed Properties
XLogP3
0.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
170.130679813 g/mol
Monoisotopic Mass
170.130679813 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
194
Isotope Atom Count
0
Defined Atom Stereocenter Count
2
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
Patents
| Publication Number | Title | Priority Date |
|---|---|---|
| US-10980756-B1 | Methods of treatment | 2020-03-16 |
| WO-2021188564-A1 | Methods of treating covid-19 with a niclosamide compound | 2020-03-16 |
| US-2022079897-A1 | Methods of treatment | 2020-03-16 |
| WO-2021142238-A1 | Deuterated niclosamide | 2020-01-10 |
| WO-2021087374-A1 | Methods for the characterization of fluid | 2019-11-01 |
| WO-2021087395-A1 | Methods and systems for menstrualome analysis | 2019-11-01 |
| US-2021114973-A1 | Pharmaceutical formulations | 2019-10-18 |
| WO-2021076922-A1 | Pharmaceutical formulations | 2019-10-18 |
| WO-2021076805-A1 | Mrnas encoding immune modulating polypeptides and uses thereof | 2019-10-15 |
| US-2021087135-A1 | Branched tail lipid compounds and compositions for intracellular delivery of therapeutic agents | 2019-09-19 |
Literatures
| PMID | Publication Date | Title | Journal |
|---|---|---|---|
| 20297798 | 2010-04-16 | A novel synthesis of oxabicyclo[3.3.1]nonanone via (3,5)-oxonium-ene reaction | Organic letters |
| 16436284 | 2006-05-30 | Herbal monoterpene alcohols inhibit propofol metabolism and prolong anesthesia time | Life sciences |
| 11535970 | 2001-08-01 | Oral neltenexine in patients with obstructive airways diseases: an open, randomised, controlled comparison versus sobrerol | Minerva medica |
