ECHIHUMILINE

Structure

2D structure of ECHIHUMILINE
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 15286355

Names and identifiers

Name

ECHIHUMILINE

IUPAC name

(1R,7aR)-7-((((R)-2,3-dihydroxy-2-((S)-1-hydroxyethyl)-3-methylbutanoyl)oxy)methyl)-2,3,5,7a-tetrahydro-1H-pyrrolizin-1-yl 3-methylbut-2-enoate

SMILES

C1C[C@H]([C@@H]2N1CC=C2COC(=O)[C@@]([C@@H](O)C)(C(C)(C)O)O)OC(=O)C=C(C)C

General information

Molecular formula

C20H31NO7

Molecular weight

397.47 g/mol

Monoisotopic mass

397.2101 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

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

Plants with the compound

Plant Plant part Amount Reference
Echium vulgare L. subsp. vulgare aerial parts -
El-shazly, A., Sarg, T., Ateya, A., Aziz, A.A., El-dahmy, S., Witte, L., Wink, M. (1996). Pyrrolizidine alkaloids from Echium setosum and Echium vulgare. J Nat Prod, 59(3), 310-313 doi:10.1021/np9600661