1-Hydroxymethylpyrrolizidine; (1R,7aS)-form, O-[2S-Hydroxy-2-(1S-hydroxyethyl)-4-methylpentanoyl]
AlkaPlorer ID: AK301587
Synonym: None
IUPAC Name: 2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylmethyl 2-hydroxy-2-(1-hydroxyethyl)-4-methylpentanoate
Structure
SMILES: CC(C)CC(O)(C(=O)OCC1CCN2CCCC12)C(C)O
InChI: InChI=1S/C16H29NO4/c1-11(2)9-16(20,12(3)18)15(19)21-10-13-6-8-17-7-4-5-14(13)17/h11-14,18,20H,4-10H2,1-3H3
InChIKey: ZNDZIMBFBJVXSC-UHFFFAOYSA-N
Reference
Pyrrolizidine alkaloids from Anchusa strigosa and their antifeedant activity
PubChem CID: 163027972
LOTUS: LTS0088717
COCONUT: CNP0305967.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Anchusa strigosa | Anchusa | Boraginaceae | Boraginales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 299.41099999999994
TPSA？: 70.0
MolLogP？: 1.1718999999999995
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|