MALLOTUSININ
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 514180
Name
MALLOTUSININ
IUPAC name
(57R,58S,510R,511R,517S)-14,15,16,24,25,26,52,53,515,516-decahydroxy-55,513,3,8-tetraoxo-55,57,58,510,511,513-hexahydro-51,56,59,512,4,7-hexaoxa-5(17,10)-1,6,9,12-tetraoxa-7,11-methanocyclotrideca[def]fluorena-1,2(1,2)-dibenzenacyclooctaphane-58-yl 3,4,5-trihydroxybenzoate
SMILES
C1[C@@H]2[C@@H]3[C@@H]([C@H]([C@@H](O2)OC(=O)C4=CC(=C(C(=C4)O)O)O)OC(=O)C5=CC(=C(C6=C5C7=C(O6)C(=C(C=C7C(=O)O3)O)O)O)O)OC(=O)C8=CC(=C(C(=C8C9=C(C(=C(C=C9C(=O)O1)O)O)O)O)O)O
Molecular formula
C41H26O25
Molecular weight
918.63 g/mol
Monoisotopic mass
918.0763 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia helioscopia L. subsp. helioscopia | - | - |
Lee, S.H., Tanaka, T., Nonaka, G.I., Nishioka, I. (1990). Tannins and related compounds. xcv. isolation and characterization of helioscopinins and helioscopins, four new hydrolyzable tannnins from Euphorbia helioscopia L. Chem Pharm Bull, 38(6), 1518-1523 doi:10.1248/cpb.38.1518
|