Secondary Metabolites Search

INTEGRISTERONE A

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Structure

2D structure of INTEGRISTERONE A
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 16038795

Names and identifiers

Name

INTEGRISTERONE A

IUPAC name

(1S,2R,3R,5R,9R,10R,13R,14S,17S)-1,2,3,14-tetrahydroxy-10,13-dimethyl-17-((2R,3R)-2,3,6-trihydroxy-6-methylheptan-2-yl)-1,2,3,4,5,9,10,11,12,13,14,15,16,17-tetradecahydro-6H-cyclopenta[a]phenanthren-6-one

SMILES

C[C@]12CC[C@H]3C(=CC(=O)[C@H]4[C@@]3([C@@H]([C@@H]([C@@H](C4)O)O)O)C)[C@@]1(CC[C@@H]2[C@](C)([C@@H](CCC(C)(C)O)O)O)O

General information

Molecular formula

C27H44O8

Molecular weight

496.64 g/mol

Monoisotopic mass

496.3036 Da

Classification

Pathway:
Terpenoids
Superclass:
Steroids
Class:
Ecdysteroids
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Silene italica (L.) Pers. subsp. italica aerial parts -
Bathori, M., Pongracz, Z., Toth, G., Simon, A., Kandra, L., Kele, Z., Ohmacht, R. (2002). Isolation of a new member of the ecdysteroid glycoside family: 2-deoxy-20-hydroxyecdysone 22-o-beta-d-glucopyranoside. J Chromatogr Sci, 40(7), 409-415 doi:10.1093/chromsci/40.7.409