(1R,4Z,6R,7S)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
AlkaPlorer ID: AK109202
Synonym: None
IUPAC Name: (1R,4Z,6R,7S,11Z)-4-ethylidene-7-hydroxy-7-(hydroxymethyl)-6,14-dimethyl-2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-3,8,17-trione
Structure
SMILES: C/C=C1/C[C@@H](C)[C@](O)(CO)C(=O)OC/C2=C/CN(C)CC[C@@H](OC1=O)C2=O
InChI: InChI=1S/C19H27NO7/c1-4-13-9-12(2)19(25,11-21)18(24)26-10-14-5-7-20(3)8-6-15(16(14)22)27-17(13)23/h4-5,12,15,21,25H,6-11H2,1-3H3/b13-4-,14-5-/t12-,15-,19-/m1/s1
InChIKey: FKDPVQYTQVJUGD-HUCHPOGGSA-N
Reference
Pyrrolizidine Alkaloids from Ligularia sibirica Cass. and Tephroseris integrifolia L.
PubChem CID: 12041879
LOTUS: LTS0007004
SuperNatural Ⅲ: SN0087910-01
NPASS: NPC275100
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Crotalaria laburnifolia | Crotalaria | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 381.4250000000002
TPSA？: 113.37
MolLogP？: -0.0180999999999997
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A204 | IC50 | 360.0 | ug.mL-1 | 10.1021/np50058a005 |