Zoamides; Zoamide C
AlkaPlorer ID: AK318141
Synonym: None
IUPAC Name: N-[2-methyl-12-(2-methylpropanoylamino)-4,6,11,13-tetrazatricyclo[8.3.0.03,7]trideca-1(10),3(7),4,12-tetraen-5-yl]benzamide
Structure
SMILES: CC(C)C(O)=NC1=NC2=C(N1)C(C)C1=C(CC2)N=C(N=C(O)C2=CC=CC=C2)N1
InChI: InChI=1S/C21H24N6O2/c1-11(2)18(28)26-20-22-14-9-10-15-17(12(3)16(14)24-20)25-21(23-15)27-19(29)13-7-5-4-6-8-13/h4-8,11-12H,9-10H2,1-3H3,(H2,22,24,26,28)(H2,23,25,27,29)
InChIKey: YCDCJHKBEHWEIQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Parazoanthus sp. | Parazoanthus | Parazoanthidae | Zoantharia | Anthozoa | Cnidaria | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 392.4630000000001
TPSA？: 122.54
MolLogP？: 4.263500000000002
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PAX33/FOXO11 | IC50 | 67000.0 | nM | 10.1021/acs.jnatprod.2c00246 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jnatprod.2c00246 |