PECTOLINARIN

Structure

2D structure of PECTOLINARIN
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 168849

Names and identifiers

Name

PECTOLINARIN

IUPAC name

5-hydroxy-6-methoxy-2-(4-methoxyphenyl)-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)-4H-chromen-4-one

SMILES

C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(C(=C4C(=C3)OC(=CC4=O)C5=CC=C(C=C5)OC)O)OC)O)O)O)O)O)O

General information

Molecular formula

C29H34O15

Molecular weight

622.58 g/mol

Monoisotopic mass

622.1898 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
Yes

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

Plants with the compound

Plant Plant part Amount Reference
Kickxia spuria (L.) Dumort. subsp. spuria - -
Toth, L., Kokovay, K., Bujas, G., Papay, V. (1978). On the constituents of Kickxia spuria. Pharmazie, 33, 84
Linaria vulgaris Mill. subsp. vulgaris - -
Hua, H.M., Sun, J., Li, X.A. (1999). Flavonoids from yellow toadflax (Linaria vulgaris). Chung Ts'Ao Yao, 30(5), 332-334
Linaria vulgaris Mill. subsp. vulgaris - -
Zemplen, G., Bognar, R., Mester, L. (1942). Neolinarin a new glycoside of Linaria vulgaris. Ber Dtsch Chem Ges, 75, 489
Linaria vulgaris Mill. subsp. vulgaris aerial parts -
Patudin, A.V., Smirnova, L.P., Glyzin, V.I., Ban'kovskii, A.I. (1975). Search for pectolinarin and acetylpectolinarin in plants of the genera Linaria and Salvia. Rast Resur, 11, 204
Trifolium pratense L. subsp. pratense flower -
Williamson, E. M. and Evans, F. J., Potter's New Cyclopaedia of Botanical Drugs and Preparations, Revised Ed., Saffron Walden, the C. W. Daniel Co., Ltd., Essex UK, 362 pp, 1988, reprint 1989.