UNPD177885
AlkaPlorer ID: AK586358
Synonym: None
IUPAC Name: (1,7-dihydroxy-2,3,5,6,7,8-hexahydropyrrolizin-1-yl)methyl 2-methylbut-2-enoate
Structure
SMILES: CC=C(C)C(=O)OCC1(O)CCN2CCC(O)C21
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
InChIKey: YVRMERSDBXNQSI-UHFFFAOYSA-N
Reference
Ester alkaloids of Heliotropium bracteatum
PubChem CID: 73097116
LOTUS: LTS0268584
COCONUT: CNP0224239.1
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 |
|---|