Clivorine
AlkaPlorer ID: AK292717
Synonym: None
IUPAC Name: 7-acetyloxy-4-ethenyl-6,7,14-trimethyl-3,8-dioxo-2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadeca-4,11-dien-17-olate
Structure
SMILES: C=CC1=CC(C)C(C)(OC(C)=O)C(=O)OCC2=CC[N+]3(C)CCC(OC1=O)C23[O-]
InChI: InChI=1S/C21H27NO7/c1-6-15-11-13(2)20(4,29-14(3)23)19(25)27-12-16-7-9-22(5)10-8-17(21(16,22)26)28-18(15)24/h6-7,11,13,17H,1,8-10,12H2,2-5H3
InChIKey: YEGVHSDONMXATH-UHFFFAOYSA-N
Reference
PubChem CID: 73800179
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia hodgsonii | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| None | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 405.4470000000002
TPSA？: 101.96
MolLogP？: 0.3722000000000012
Number of H-Donors: 0
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|