(+)-Discorhabdin D
AlkaPlorer ID: AK000347
Synonym: None
IUPAC Name: (1R,14S)-11-hydroxy-15-thia-9,13-diaza-4-azoniaheptacyclo[12.6.1.13,7.01,16.02,12.04,19.010,22]docosa-2(12),3,7(22),8,10,16-hexaen-18-one
Structure
SMILES: C1C[N+]2=C3C4=C1C=NC4=C(C5=C3[C@@]67C[C@@H](N5)SC6=CC(=O)C2C7)O
InChI: InChI=1S/C18H13N3O2S/c22-9-3-10-18-4-8(9)21-2-1-7-6-19-14-12(7)16(21)13(18)15(17(14)23)20-11(5-18)24-10/h3,6,8,11H,1-2,4-5H2,(H,19,20,23)/p+1/t8?,11-,18-/m0/s1
InChIKey: QYJUINXANIOBKV-YSTSUOIISA-O
Reference
PubChem CID: 135976665
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Higginsia | Stelligeridae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Higginsia | Stelligeridae | Axinellida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 336.3960000000001
TPSA？: 64.7
MolLogP？: 0.5187999999999997
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 25.0 | ug.mL-1 | 10.1021/np9005629 |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/np9005629 |
| Homo sapiens | K562 | IC50 | 6100.0 | nM | 10.1021/np9005629 |
| Micrococcus luteus | Micrococcus luteus | MIC | 6.25 | ug.mL-1 | 10.1021/np9005629 |
| Proteus vulgaris | Proteus vulgaris | MIC | 100.0 | ug.mL-1 | 10.1021/np9005629 |
| Salmonella enterica | Salmonella enterica | MIC | 100.0 | ug.mL-1 | 10.1021/np9005629 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 100.0 | ug.mL-1 | 10.1021/np9005629 |