(+)-Myrtenol
Basic information
- CAS
6712-78-3- Standard SMILES
CC1(C)[C@@H]2CC=C(CO)[C@H]1C2- InChIKey
RXBQNMWIQKOSCS-RKDXNWHRSA-N- Molecular formula
- C10H16O
- Average molar mass
- 152.23 g/mol
- Monoisotopic mass
- 152.12011513
Overview
Darwinol is a monoterpenoid.
Names & identifiers
- Preferred name
- (+)-Myrtenol
- IUPAC
- [(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol
- English name
- (-)-MYRTENOL
- Molecular formula
- C10H16O
- Molecular weight
- 152.23
Names & synonyms
(+)-myrtenol6712-78-3DTXSID401318068RefChem:1048978DTXCID801747859Darwinol(1S)-(+)-Myrtenol((1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl)methanol[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methanol[(1S,5R)-6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl]methanolmirtenol6,6-Dimethyl-(1S)-Bicyclo(3.1.1)hept-2-ene-2-methanol
Show more names
cis-Myrtenol(1S)-6,6-dimethyl-Bicyclo(3.1.1)hept-2-ene-2-methanol(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hept-2-ene-2-methanolBicyclo(3.1.1)hept-2-ene-2-methanol, 6,6-dimethyl-, (1S)-(1S,5R)-6,6-Dimethylbicyclo[3.1.1]hepta-2-ene-2α-methanolBicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1S,5R)-
6,6-Dimethyl-(1S)-Bicyclo[3.1.1]hept-2-ene-2-methanol(1S)-2-Pinen-10-ol(+)-Pin-2-ene-10-olSCHEMBL24281940CHEBI:171940WS-00032D853032-Pinen-10-ol, (1S,5R)-(+)- (8CI)
Database identifiers
- CAS
6712-78-3- PubChem CID
- 636475
- DTXSID
DTXSID401318068- ChEBI
CHEBI:171940- Nikkaji
- J15.938G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 203
Experimental & physicochemical properties
Boiling Point106.00 to 107.00 °C. @ 14.00 mm Hg
Physicochemical properties
- Boiling point
- 234.73 °C · 234.73°C (rough estimate)
- Density
- 0.8899 · 0.8899 (rough estimate)
- refractive index
- 1.4884 · 1.4884 (estimate)
- pka
- 14.77 · 14.77±0.10(Predicted)
- LogP
- 2.845 · 2.845 (est)
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Applications
Uses(1S)-(+)-Myrtenol is used as a novel 11β-HSD1 inhibitor which exhibited anti-adipogenic effect on human and mouse liver and fats.
Additional notes
DefinitionChEBI: Darwinol is a monoterpenoid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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