Rosmarinine-2-Acetate
AlkaPlorer ID: AK382333
Synonym: None
IUPAC Name: (4-ethylidene-7-hydroxy-6,7-dimethyl-3,8-dioxo-2,9-dioxa-14-azatricyclo[9.5.1.014,17]heptadecan-12-yl) acetate
Structure
SMILES: CC=C1CC(C)C(C)(O)C(=O)OCC2C(OC(C)=O)CN3CCC(OC1=O)C23
InChI: InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,25)19(24)26-10-14-16(27-12(3)22)9-21-7-6-15(17(14)21)28-18(13)23/h5,11,14-17,25H,6-10H2,1-4H3
InChIKey: FUOIHFZKSQBMKK-UHFFFAOYSA-N
Reference
The pyrrolizidine alkaloids of Senecio syringifolius and S. hadiensis from Kenya
PubChem CID: 74030066
CAS: 137760-53-3
LOTUS: LTS0255319
COCONUT: CNP0359790.1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Senecio hadiensis | Senecio | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 395.45200000000017
TPSA？: 102.37
MolLogP？: 0.8143000000000002
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|