Rosmarinine; 12-Ac
AlkaPlorer ID: AK312700
Synonym: 12-O-Acetylrosmarinine
IUPAC Name: None
Structure
SMILES: C/C=C1\CC(C)C(C)(OC(C)=O)C(=O)OCC2C(O)CN3CCC(OC1=O)C23
InChI: InChI=1S/C20H29NO7/c1-5-13-8-11(2)20(4,28-12(3)22)19(25)26-10-14-15(23)9-21-7-6-16(17(14)21)27-18(13)24/h5,11,14-17,23H,6-10H2,1-4H3/b13-5+
InChIKey: DZYSFHOSCAULAC-WLRTZDKTSA-N
Reference
CAS: 137760-53-3
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 |
|---|