Basic information
- CAS
146257-78-5- Standard SMILES
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)CC(=O)C=C3[C@@]21C- InChIKey
RACYWTTYSJTPOV-TUJRATNISA-N- Molecular formula
- C24H32O4
- Average molar mass
- 384.5 g/mol
- Monoisotopic mass
- 384.2300595
Overview
Desfuranoazadiradione is a limonoid that is azadiradione in which the furanyl group at position 17 is replaced by a hydrogen. It has been isolated from Azadirachta indica. It has a role as a metabolite and a plant metabolite. It is a tetracyclic triterpenoid, a cyclic terpene ketone, a limonoid and an acetate ester. It is functionally related to an azadiradione.
Names & identifiers
- Preferred name
- Desfuranoazadiradione
- IUPAC
- [(5R,7R,8R,9R,10R,13S)-4,4,8,10,13-pentamethyl-3,16-dioxo-6,7,9,11,12,17-hexahydro-5H-cyclopenta[a]phenanthren-7-yl] acetate
Names & synonyms
DESFURANOAZADIRADIONECHEMBL1774395CHEBI:67292DTXSID801151896146257-78-5Q27135751(5alpha,7alpha,13alpha)-4,4,8-Trimethyl-3,16-dioxoandrosta-1,14-dien-7-yl acetate(5I+/-,7I+/-,13I+/-)-7-(Acetyloxy)-4,4,8-trimethylandrosta-1,14-diene-3,16-dione4,4,8-Trimethyl-3,16-dioxo-5alpha,13alpha-androsta-1,14-dien-7alpha-yl acetate
Database identifiers
- CAS
146257-78-5- PubChem CID
- 52952012
- DTXSID
DTXSID801151896- ChEMBL
CHEMBL1774395- ChEBI
CHEBI:67292- Nikkaji
- J510.964G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 834
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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