Basic information
- CAS
164991-79-1- Standard SMILES
CCCCCCCCCCC(O)C1CCC(C2CCC(C(O)CCCCC(O)CCCCCC(O)CC3=CC(C)OC3=O)O2)O1- InChIKey
QFFLFGFTHVFFDL-UHFFFAOYSA-N- Molecular formula
- C37H66O8
- Average molar mass
- 638.9 g/mol
- Monoisotopic mass
- 638.47576906
Overview
Annoglaucin has been reported in Annona purpurea and Annona reticulata with data available.
Names & identifiers
- Preferred name
- Annoglaucin
- IUPAC
- 2-methyl-4-[2,8,13-trihydroxy-13-[5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl]tridecyl]-2H-furan-5-one
Names & synonyms
annoglaucinNSC695408CHEMBL2007510NSC-695408NCI60_0341635-methyl-3-(2,8,13-trihydroxy-13-{5-[5-(1-hydroxyundecyl)oxolan-2-yl]oxolan-2-yl}tridecyl)-2,5-dihydrofuran-2-one
Database identifiers
- CAS
164991-79-1- PubChem CID
- 393475
- ChEMBL
CHEMBL2007510、CHEMBL447889
Properties
Computed structural properties
- XLogP
- 7.8
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 25
- Heavy atoms
- 45
- Formal charge
- 0
- Complexity
- 833
Experimental & physicochemical properties
Melting Point58 - 59 °C
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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