BALLOTENOL

Structure

2D structure of BALLOTENOL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 101316893

Names and identifiers

Name

BALLOTENOL

IUPAC name

(1S,3R,4R,4aS,8S,8aS)-4-(2-(furan-3-yl)ethyl)-1,4-dihydroxy-8-(hydroxymethyl)-3,4a,8-trimethyloctahydronaphthalen-2(1H)-one

SMILES

C[C@H]1C(=O)[C@H]([C@H]2[C@@](CCC[C@@]2([C@]1(CCC3=COC=C3)O)C)(C)CO)O

General information

Molecular formula

C20H30O5

Molecular weight

350.46 g/mol

Monoisotopic mass

350.2093 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Ballota nigra L. subsp. meridionalis (Bég.) Bég. - -
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.
Ballota nigra L. subsp. meridionalis (Bég.) Bég. aerial parts -
Seidel, V., Verholle, M., Malard, Y., Tillequin, F., Fruchart, J-C., Duriez, P., Bailleul, F., Teissier, E. 2000. Phenylpropanoids from Ballota nigra L. Inhibit in vitro LDL Peroxidation. Phytotherapy Research, 14(2): 93-98.