PEPLUANIN A
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 129316519
Name
PEPLUANIN A
IUPAC name
(2R,3aR,4S,13aR,Z)-3-(benzoyloxy)-13a-hydroxy-2,9,9,12-tetramethyl-5-methylene-8-(nicotinoyloxy)-2,3,3a,4,5,6,7,8,9,12,13,13a-dodecahydro-1H-cyclopenta[12]annulene-2,4,6,7,13-pentayl pentaacetate
SMILES
CC1C=CC(C(C(C(C(=C)C([C@@H]2C([C@](C[C@@]2(C1OC(=O)C)O)(C)OC(=O)C)OC(=O)C3=CC=CC=C3)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C4=CN=CC=C4)(C)C
Molecular formula
C43H51NO15
Molecular weight
821.87 g/mol
Monoisotopic mass
821.3259 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia peplus L. | - | - |
Corea, G., Fattorusso, E., Lanzotti, V., Motti, R., Simon, P.N., Dumonte, C., Dipietro, A. (2004). Jatrophane diterpenes as modulators of multidrug resistance. advances of structure-activity relationships and discovery of the potent lead pepluanin A. J Med Chem, 47(4), 988-992 doi:10.1021/jm030951y
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