UNPD177885
AlkaPlorer ID: AK586359
Synonym: None
IUPAC Name: [(1S,7R,8S)-1,7-dihydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methyl (Z)-2-methylbut-2-enoate
Structure
SMILES: C/C=C(/C)C(=O)OC[C@]1(O)CCN2CC[C@@H](O)[C@H]21
InChI: InChI=1S/C13H21NO4/c1-3-9(2)12(16)18-8-13(17)5-7-14-6-4-10(15)11(13)14/h3,10-11,15,17H,4-8H2,1-2H3/b9-3-/t10-,11+,13-/m1/s1
InChIKey: YVRMERSDBXNQSI-RTVMLCCYSA-N
Reference
Heliscabine, a pyrrolizidine ester alkaloid from Heliotropium scabrum
PubChem CID: 11777124
LOTUS: LTS0058831
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Heliotropium marifolium | Heliotropium | Heliotropiaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.314
TPSA？: 70.0
MolLogP？: 0.0657999999999999
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|