PEDUNCULAGIN
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Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 442688
Name
PEDUNCULAGIN
IUPAC name
(6aR,8aR,21aR,21bS)-1,2,3,7,13,14,15,16,17,18,25,26,27-tridecahydroxy-6a,7,8a,9,21a,21b-hexahydrodibenzo[g,i]dibenzo[6',7':8',9'][1,4]dioxecino[2',3':4,5]pyrano[3,2-b][1,5]dioxacycloundecine-5,11,20,23-tetraone
SMILES
C1[C@@H]2[C@H]([C@H]3[C@H](C(O2)O)OC(=O)C4=CC(=C(C(=C4C5=C(C(=C(C=C5C(=O)O3)O)O)O)O)O)O)OC(=O)C6=CC(=C(C(=C6C7=C(C(=C(C=C7C(=O)O1)O)O)O)O)O)O
Molecular formula
C34H24O22
Molecular weight
784.54 g/mol
Monoisotopic mass
784.0759 Da
Pathway:
Superclass:
Class:
Glycoside:
Yes
Chemical classification: NPClassifier (Kim et al., 2021)
| Plant | Plant part | Amount | Reference |
|---|---|---|---|
| Euphorbia maculata L. | aerial parts | - |
Ahn, B.T., Lee, S.H., Ro, J.S., Lee, K.S. (1995). A chemotaxonomic study on Euphorbiaceae in Korea. Nat Prod Sci, 1(1), 86-98
|
| Euphorbia prostrata Aiton | leaf | - |
Yoshida, T., Namba, O., Kurokawa, K., Amakura, Y., Liu, Y.Z., Okuda, T. (1994). Tannins and related polyphenols of Euphorbiaceous plants. xii. euphorbins g and h, new dimeric hydrolyzable tannins from Euphorbia prostrata and Euphorbia makinoi. Chem Pharm Bull, 42(10), 2005-2010 doi:10.1248/cpb.42.2005
|
| Rubus caesius L. | - | - |
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
|
| Rubus idaeus L. subsp. idaeus | leaf | - |
Duke, James A. 1992. Handbook of phytochemical constituents of GRAS herbs and other economic plants. Boca Raton, FL. CRC Press.
|
| Rubus sect. Corylifolii Lindl. | - | - |
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
|
| Rubus ulmifolius Schott | - | - |
Jeffery B. Harborne and H. Baxter, eds. 1983. Phytochemical Dictionary. A Handbook of Bioactive Compounds from Plants. Taylor & Frost, London. 791 pp.
|