(1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
Basic information
- CAS
41653-72-9- Standard SMILES
Cc1cc2c(cc1O)[C@@](C)(O)C(=O)C=C2C(C)C- InChIKey
JLCJSBOHWRDWQW-OAHLLOKOSA-N- Molecular formula
- C15H18O3
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.12559443
Overview
Lacinilene C is a sesquiterpenoid.
Names & identifiers
- Preferred name
- (1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
- IUPAC
- (1R)-1,7-dihydroxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-one
- English name
- 1,7-Dihydroxy-1,6-dimethyl-4-isopropylnaphthalen-2(1H)-one
- Molecular formula
- C15H18O3
- Molecular weight
- 246.3
Names & synonyms
Lacinilene C41653-72-9(1R)-1,7-dihydroxy-1,6-dimethyl-4-propan-2-ylnaphthalen-2-oneDTXSID801944717T78E9F9E4(1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenoneRefChem:905683DTXCID901169621,7-DIHYDROXY-1,6-DIMETHYL-4-ISOPROPYLNAPHTHALEN-2(1H)-ONE(R)-1,7-Dihydroxy-4-isopropyl-1,6-dimethylnaphthalen-2(1H)-one2(1H)-Naphthalenone, 1,7-dihydroxy-1,6-dimethyl-4-(1-methylethyl)-, (R)-; (1R)-1,7-Dihydroxy-1,6-dimethyl-4-(1-methylethyl)-2(1H)-naphthalenone
Show more names
3,10-Dihydroxy-1,3,5,7-cadinatetraen-9-one2(1H)-Naphthalenone, 1,7-dihydroxy-1,6-dimethyl-4-(1-methylethyl)-, (1R)-
CHEMBL254803orb1681398SCHEMBL29689752CHEBI:192431HY-N3410TN5330AKOS032948595FS-9880
Database identifiers
- CAS
41653-72-9- PubChem CID
- 170551
- DTXSID
DTXSID80194471- ChEMBL
CHEMBL254803- ChEBI
CHEBI:192431- UNII
- 7T78E9F9E4
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Melting point
- 92 · 92-93 °C
- Boiling point
- 422.9 · 422.9±45.0 °C(Predicted)
- Density
- 1.194 · 1.194±0.06 g/cm3(Predicted)
- pka
- 9.97 · 9.97±0.40(Predicted)
Chemistry & industry
Applications
UsesLacinilene C is a sesquiterpene-like compound isolated from the root of Bombax malabaricum[1].
Additional notes
DefinitionChEBI: Lacinilene C is a sesquiterpenoid.
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