Basic information
- CAS
861136-81-4- Standard SMILES
COC1CC(=O)[C@@]23C(=O)N[C@@H](CC(C)C)[C@@H]2C(C)=C(C)[C@H](O)[C@@H]3/C=C(\C)CCC(O)C1O- InChIKey
SEJALNVFDONJGO-GXVMMTHKSA-N- Molecular formula
- C25H39NO6
- Average molar mass
- 449.6 g/mol
- Monoisotopic mass
- 449.27773796
Overview
Aspochalasin L is a cytochalasin. It has a role as a fungal metabolite.
Names & identifiers
- Preferred name
- Aspochalasin L
- IUPAC
- (1R,9E,11R,12R,15R,16S)-5,6,12-trihydroxy-4-methoxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,13-diene-2,18-dione
Names & synonyms
Aspochalasin LSV5K9D2538861136-81-4(1R,9E,11R,12R,15R,16S)-5,6,12-Trihydroxy-4-methoxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo[9.7.0.01,15]octadeca-9,13-diene-2,18-dione(1R,9E,11R,12R,15R,16S)-5,6,12-trihydroxy-4-methoxy-9,13,14-trimethyl-16-(2-methylpropyl)-17-azatricyclo(9.7.0.01,15)octadeca-9,13-diene-2,18-dioneRefChem:115198UNII-SV5K9D25381H-Cycloundec(d)isoindole-1,15(2H)-dione, 3,3a,6,6a,9,10,11,12,13,14-decahydro-6,11,12-trihydroxy-13-methoxy-4,5,8-trimethyl-3-(2-methylpropyl)-, (3S,3aR,6R,6aR,7E,15aR)-CHEBI:211676
Database identifiers
- CAS
861136-81-4- PubChem CID
- 11396751
- ChEBI
CHEBI:211676- UNII
- SV5K9D2538
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 817
Chemistry & industry
Pharmacology
MeSH Pharmacological ClassificationInhibitors of HIV INTEGRASE, an enzyme required for integration of viral DNA into cellular DNA.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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