Liguducimine B
AlkaPlorer ID: AK304403
Synonym: None
IUPAC Name: 2,7-dimethyl-12-nitro-1,3-diazatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),11-pentaene-4,10-dione
Structure
SMILES: CC1=CC2=C3C(=C1)C(=O)N=C(C)N3C([N+](=O)[O-])=CC2=O
InChI: InChI=1S/C13H9N3O4/c1-6-3-8-10(17)5-11(16(19)20)15-7(2)14-13(18)9(4-6)12(8)15/h3-5H,1-2H3
InChIKey: IRBLGQLHVGDSSW-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ligularia duciformis | Ligularia | Asteraceae | Asterales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 271.232
TPSA？: 94.58
MolLogP？: 1.1707399999999997
Number of H-Donors: 0
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|