Echihumiline
AlkaPlorer ID: AK297219
Synonym: None
IUPAC Name: [7-(3-methylbut-2-enoyloxy)-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC(C)=CC(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)O)C(C)(C)O)C12
InChI: InChI=1S/C20H31NO7/c1-12(2)10-16(23)28-15-7-9-21-8-6-14(17(15)21)11-27-18(24)20(26,13(3)22)19(4,5)25/h6,10,13,15,17,22,25-26H,7-9,11H2,1-5H3
InChIKey: XQRINBJLKOBTMI-UHFFFAOYSA-N
Reference
Pyrrolizidine and tetrahydroisoquinoline alkaloids from Echium humile
PubChem CID: 85161877
CAS: 174285-73-5
LOTUS: LTS0067532
COCONUT: CNP0283111.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Echium humile | Echium | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Echium vulgare | 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 |
|---|