INGENOL

Structure

2D structure of INGENOL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442042

Names and identifiers

Name

INGENOL

IUPAC name

(1aR,2S,5R,5aR,6S,8aS,9R,10aR)-5,5a,6-trihydroxy-4-(hydroxymethyl)-1,1,7,9-tetramethyl-1a,2,5,5a,6,9,10,10a-octahydro-1H-2,8a-methanocyclopenta[a]cyclopropa[e][10]annulen-11-one

SMILES

C[C@@H]1C[C@@H]2[C@@H](C2(C)C)[C@@H]3C=C([C@H]([C@]4([C@@]1(C3=O)C=C([C@@H]4O)C)O)O)CO

General information

Molecular formula

C20H28O5

Molecular weight

348.44 g/mol

Monoisotopic mass

348.1937 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Euphorbia helioscopia L. subsp. helioscopia exudate -
Girin, M.A., Paphassarang, S., David-eteve, C., Chaboud, A., Raynaud, J. (1993). Determination of ingenol in homoeopathic mother tinctures of Euphorbia species by high-performance lipuid chromatography. J Chromatogr, 637(2), 206-208 doi:10.1016/0021-9673(93)83215-e
Euphorbia peplus L. exudate -
No reference