Deterrol
Basic information
- CAS
113393-59-2- Standard SMILES
C=C(C)c1ccc(C)c2ccc(CO)c-2c1- InChIKey
UELYVRHCROBZCL-UHFFFAOYSA-N- Molecular formula
- C15H16O
- Average molar mass
- 212.29 g/mol
- Monoisotopic mass
- 212.12011513
Overview
Deterrol is a sesquiterpenoid.
Names & identifiers
- Preferred name
- Deterrol
- IUPAC
- (4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanol
- English name
- DETERROL
- Molecular formula
- C15H16O
- Molecular weight
- 212.29
Names & synonyms
Deterrol(4-methyl-7-prop-1-en-2-ylazulen-1-yl)methanolCCRIS 36737-Isopropenyl-4-methyl-1-azulenemethanol4-Methyl-7-(1-methylethenyl)-1-azulenemethanol1-Azulenemethanol, 4-methyl-7-(1-methylethenyl)-[4-methyl-7-(prop-1-en-2-yl)azulen-1-yl]methanolDTXSID201503944-Methyl-7-(1-methylethenyl)-1-azulenemethanol, 9CI(4-methyl-7-(prop-1-en-2-yl)azulen-1-yl)methanolRefChem:132328DTXCID2072885
Show more names
113393-59-2CHEBI:173608
Database identifiers
- CAS
113393-59-2- PubChem CID
- 154186
- DTXSID
DTXSID20150394- ChEBI
CHEBI:173608- Nikkaji
- J2.377.611A
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
Melting Point100 - 101 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: Deterrol is a sesquiterpenoid.
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Related reactions
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Compound notes
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