Plakevulin A
Basic information
- CAS
518035-27-3- Standard SMILES
CCCCCCCCCCCCCCCC[C@]1(O)C=C[C@H](O)[C@H]1C(=O)OC- InChIKey
SOLXJOFQECGRPS-FUDKSRODSA-N- Molecular formula
- C23H42O4
- Average molar mass
- 382.6 g/mol
- Monoisotopic mass
- 382.30830982
Overview
isolated from the Okinawan sponge Plakortis; has antineoplastic activity; structure in first source
Names & identifiers
- Preferred name
- Plakevulin A
- IUPAC
- methyl (1R,2S,5S)-2-hexadecyl-2,5-dihydroxycyclopent-3-ene-1-carboxylate
Names & synonyms
plakevulin A518035-27-3DTXSID101045466methyl (1R,2S,5S)-2-hexadecyl-2,5-dihydroxycyclopent-3-ene-1-carboxylateRefChem:174677DTXCID501527400methyl (1R,2S,5S)-2-hexadecyl-2-hydroxy-5-(4-oxopentanoyloxy)cyclopent-3-ene-1-carboxylateCHEMBL210842(+)-Plakevulin Aorb2663548BDBM50184762HY-N13095
Show more names
TN8059Q15425264
Database identifiers
- CAS
518035-27-3- PubChem CID
- 10385259
- DTXSID
DTXSID101045466- ChEMBL
CHEMBL210842- Nikkaji
- J2.092.801H
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 17
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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