(1R,4S,6R,7R,11Z)-4-hydroxy-4-[(1R)-1-hydroxyethyl]-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl acetate
AlkaPlorer ID: AK458582
Synonym: None
IUPAC Name: [4-hydroxy-4-(1-hydroxyethyl)-6,7,14-trimethyl-3,8,17-trioxo-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-en-7-yl] acetate
Structure
SMILES: CC(=O)OC1(C)C(=O)OCC2=CCN(C)CCC(OC(=O)C(O)(C(C)O)CC1C)C2=O
InChI: InChI=1S/C21H31NO9/c1-12-10-21(28,13(2)23)19(27)30-16-7-9-22(5)8-6-15(17(16)25)11-29-18(26)20(12,4)31-14(3)24/h6,12-13,16,23,28H,7-11H2,1-5H3
InChIKey: MPJBVZKNLCGQHF-UHFFFAOYSA-N
Reference
Alkaloids of Senecio erraticus
PubChem CID: 5112322
LOTUS: LTS0012206
COCONUT: CNP0139733.7
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Jacobaea aquatica | Jacobaea | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 441.4770000000002
TPSA？: 139.67000000000002
MolLogP？: -0.2540999999999982
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|