Isoretrohoustine
AlkaPlorer ID: AK043710
Synonym: ''
IUPAC Name: [(1R,8S)-7-(hydroxymethyl)-2,3,5,8-tetrahydro-1H-pyrrolizin-1-yl] (2S)-2-hydroxy-2,3-dimethylbutanoate
Structure
SMILES: CC(C)[C@](C)(O)C(=O)O[C@@H]1CCN2CC=C(CO)[C@@H]12
InChI: InChI=1S/C14H23NO4/c1-9(2)14(3,18)13(17)19-11-5-7-15-6-4-10(8-16)12(11)15/h4,9,11-12,16,18H,5-8H2,1-3H3/t11-,12+,14+/m1/s1
InChIKey: RAOAKLAJPBMMLW-DYEKYZERSA-N
Reference
Pyrrolizidine alkaloids from Ageratum houstonianum Mill
PubChem CID: 162994980
LOTUS: LTS0267003
SuperNatural Ⅲ: SN0320207-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ageratum houstonianum | Ageratum | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 269.34099999999995
TPSA？: 70.0
MolLogP？: 0.3117999999999999
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|