Calliactine; (S)-form, 11-Ketone
AlkaPlorer ID: AK101602
Synonym: 11-Dehydrocalliactine, Cystodimine B
IUPAC Name: 18-hydroxy-20-imino-2,12,15-triazapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-1(21),2,4,7,9,11,13,18-octaen-6-one
Structure
SMILES: N=C1C2=C(NCCC2=O)C2=C3C1=NC1=CC=C(O)C=C1C3=CC=N2
InChI: InChI=1S/C18H12N4O2/c19-15-14-12(24)4-6-21-18(14)17-13-9(3-5-20-17)10-7-8(23)1-2-11(10)22-16(13)15/h1-3,5,7,19,21,23H,4,6H2
InChIKey: TWKCVAGQKSOIEB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Calliactis parasitica | Calliactis | Hormathiidae | Actiniaria | Anthozoa | Cnidaria | Metazoa | Eukaryota |
| Cystodytes dellechiajei | Cystodytes | Polycitoridae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 316.32000000000005
TPSA？: 98.96
MolLogP？: 2.1435699999999995
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 2600.0 | nM | 10.1021/np900751k |
| Micrococcus luteus | Micrococcus luteus | MIC | 10500.0 | nM | 10.1021/np900751k |