Molecule

echimidine

AlkaPlorer ID: AK321899

Synonym: None

IUPAC Name: [(7S,8R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate

Structure

SMILES: C/C=C(/C)C(=O)O[C@H]1CCN2CC=C(COC(=O)[C@](O)(C(C)O)C(C)(C)O)[C@H]12

InChI: InChI=1S/C20H31NO7/c1-6-12(2)17(23)28-15-8-10-21-9-7-14(16(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6-7,13,15-16,22,25-26H,8-11H2,1-5H3/b12-6-/t13?,15-,16+,20+/m0/s1

InChIKey: HRSGCYGUWHGOPY-NCECIAKWSA-N

Reference

PubChem CID: 10363418

NPASS: NPC39009

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Cynoglossum officinale	Cynoglossum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cynoglossum zeylanicum	Cynoglossum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Symphytum asperum	Symphytum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia helioscopia	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Echium vulgare	Echium	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Symphytum officinale	Symphytum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 397.4680000000001

TPSA？: 116.53

MolLogP？: 0.3047000000000005

Number of H-Donors: 3

Number of H-Acceptors: 8

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi