Intermedine; 3'-Epimer, 7-Ac
AlkaPlorer ID: AK297223
Synonym: 7-Acetyllycopsamine
IUPAC Name: (7-acetyloxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl)methyl 2-hydroxy-2-(1-hydroxyethyl)-3-methylbutanoate
Structure
SMILES: CC(=O)OC1CCN2CC=C(COC(=O)C(O)(C(C)C)C(C)O)C12
InChI: InChI=1S/C17H27NO6/c1-10(2)17(22,11(3)19)16(21)23-9-13-5-7-18-8-6-14(15(13)18)24-12(4)20/h5,10-11,14-15,19,22H,6-9H2,1-4H3
InChIKey: RKDOFSJTBIDAHX-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloid chemosystematics in Amsinckia
PubChem CID: 586647
CAS: 99530-96-8
LOTUS: LTS0018875
COCONUT: CNP0118904.5
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Symphytum | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Anchusa officinalis | Anchusa | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Anchusa | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.40400000000005
TPSA？: 96.3
MolLogP？: 0.2435000000000003
Number of H-Donors: 2
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|