Dihydromyoporone
Basic information
- CAS
72145-16-5- Standard SMILES
CC(C)CC(O)CC(C)CCC(=O)c1ccoc1- InChIKey
BROZQMCDYUJKFQ-UHFFFAOYSA-N- Molecular formula
- C15H24O3
- Average molar mass
- 252.35 g/mol
- Monoisotopic mass
- 252.17254462
Overview
Dihydromyoporone is an aliphatic alcohol.
Names & identifiers
- Preferred name
- Dihydromyoporone
- IUPAC
- 1-(furan-3-yl)-6-hydroxy-4,8-dimethylnonan-1-one
Names & synonyms
Dihydromyoporone1-(furan-3-yl)-6-hydroxy-4,8-dimethylnonan-1-one4,8-Dimethyl-1-(3-furyl)-6-hydroxy-1-nonanoneDTXSID60992871CHEBI:174340FOH 15:4;O2LMFA050006501-(uran-3-yl)-6-hydroxy-4,8-dimethylnonan-1-one
Database identifiers
- CAS
72145-16-5- PubChem CID
- 51551
- DTXSID
DTXSID60992871- ChEBI
CHEBI:174340- Nikkaji
- J174.824F、J332.177K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 50.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 250
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty alcohols [FA05]
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
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Related reactions
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Compound notes
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