Secondary Metabolites Search

PUNCTATIN,3-9-DIHYDRO: 8-O-DEMETHYL: 8-O-ACETYL-7-O-METHYL

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Structure

2D structure of PUNCTATIN,3-9-DIHYDRO: 8-O-DEMETHYL: 8-O-ACETYL-7-O-METHYL
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 21627907

Names and identifiers

Name

PUNCTATIN,3-9-DIHYDRO: 8-O-DEMETHYL: 8-O-ACETYL-7-O-METHYL

IUPAC name

5-hydroxy-3-(4-hydroxybenzyl)-7-methoxy-4-oxochroman-8-yl acetate

SMILES

C1(=CC(=C(C2=C1C(C(CO2)CC3=CC=C(C=C3)O)=O)OC(C)=O)OC)O

General information

Molecular formula

C19H18O7

Molecular weight

358.35 g/mol

Monoisotopic mass

358.1053 Da

Classification

Pathway:
Shikimates and Phenylpropanoids
Superclass:
Isoflavonoids
Class:
Isoflavanones
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Muscari comosum (L.) Mill. bulb -
Adinolfi, M., Barone, G., Belardini, M., Lanzetta, R., Laonigro, G., Parrilli, M. (1985). Homoisoflavanones from Muscari comosum bulbs. Phytochemistry, 24(10), 2423-2426 doi:10.1016/s0031-9422(00)83055-1