Molecule

echimidine

AlkaPlorer ID: AK318596

Synonym: None

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

Structure

SMILES: C/C=C(\C)C(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12

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+

InChIKey: HRSGCYGUWHGOPY-WUXMJOGZSA-N

Reference

PubChem CID: 5376265

CAS: 32728-78-2

NPASS: NPC144015

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Symphytum caucasicum	Symphytum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Symphytum orientale	Symphytum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Symphytum tuberosum	Symphytum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Erythroxylum coca	Erythroxylum	Erythroxylaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Symphytum officinale	Symphytum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Echium plantagineum	Echium	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