1-Hydroxymethylpyrrolizidine; (1S,7aS)-form, O-(2R-Hydroxy-3R-methylpentanoyl)
AlkaPlorer ID: AK301590
Synonym: Cremastrine
IUPAC Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-3-methylpentanoate
Structure
SMILES: CCC(C)C(O)C(=O)OCC1CCN2CCCC12
InChI: InChI=1S/C14H25NO3/c1-3-10(2)13(16)14(17)18-9-11-6-8-15-7-4-5-12(11)15/h10-13,16H,3-9H2,1-2H3
InChIKey: AVBKRVFZNFJQBK-UHFFFAOYSA-N
Reference
Cremastrine, a Pyrrolizidine Alkaloid from <i>Cremastra </i><i>a</i><i>ppendiculata</i>
PubChem CID: 78202315
LOTUS: LTS0144451
COCONUT: CNP0176766.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Cremastra appendiculata | Cremastra | Orchidaceae | Asparagales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 255.35799999999992
TPSA？: 49.77
MolLogP？: 1.4208999999999998
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|