CUCURBITACIN I
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 5281321
Name
CUCURBITACIN I
IUPAC name
(8S,9R,10R,13R,14S,16R,17R)-17-((R,E)-2,6-dihydroxy-6-methyl-3-oxohept-4-en-2-yl)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-7,8,9,10,12,13,14,15,16,17-decahydro-3H-cyclopenta[a]phenanthrene-3,11(4H)-dione
SMILES
C[C@@]12C[C@H]([C@@H]([C@]1(CC(=O)[C@@]3([C@H]2CC=C4[C@H]3C=C(C(=O)C4(C)C)O)C)C)[C@](C)(C(=O)/C=C/C(C)(C)O)O)O
Molecular formula
C30H42O7
Molecular weight
514.66 g/mol
Monoisotopic mass
514.2931 Da
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Bryonia dioica Jacq. | root | - |
Pohlmann, J. (1975). Cucurbitacins in Bryonia alba and Bryonia dioica. Phytochemistry, 14, 1587-1589 doi:10.1016/0031-9422(75)85356-8
|
| Lysimachia arvensis (L.) U.Manns & Anderb. | - | - |
Yamada, Y., Hagiwara, K., Iguchi, K., Takahasi, Y., Hsu, H.Y. (1978). Cucurbitacins from Anagallis arvensis. Phytochemistry, 17, 1798 doi:10.1016/s0031-9422(00)88703-8
|