Buanmycin
AlkaPlorer ID: AK014015
Synonym: 'Buanmycin'
IUPAC Name: (2S)-3-hydroxy-2-methyl-2-[[1,7,12,14-tetrahydroxy-11-methoxy-13-oxo-3-(2-oxopropyl)-5,6-dihydronaphtho[1,2-b]xanthene-2-carbonyl]amino]propanoic acid
Structure
SMILES: COC1=C(O)C2=C(C=C1)OC1=C(O)C3=C(C4=C(C=C(CC(C)=O)C(C(O)=N[C@@](C)(CO)C(=O)O)=C4O)CC3)C(O)=C1C2=O
InChI: InChI=1S/C30H27NO12/c1-11(33)8-13-9-12-4-5-14-19(17(12)24(36)18(13)28(39)31-30(2,10-32)29(40)41)25(37)21-26(38)20-15(43-27(21)22(14)34)6-7-16(42-3)23(20)35/h6-7,9,32,34-37H,4-5,8,10H2,1-3H3,(H,31,39)(H,40,41)/t30-/m0/s1
InChIKey: CIRUKWHIGGSERO-PMERELPUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 593.5410000000003
TPSA？: 227.54999999999995
MolLogP？: 2.814500000000002
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 84300.0 | nM | 10.1021/np500736b |
| Bacillus subtilis | Bacillus subtilis | MIC | 700.0 | nM | 10.1021/np500736b |
| Candida albicans | Candida albicans | MIC | 21100.0 | nM | 10.1021/np500736b |
| Homo sapiens | A549 | IC50 | 1700.0 | nM | 10.1021/np500736b |
| Homo sapiens | HCT-116 | IC50 | 900.0 | nM | 10.1021/np500736b |
| Homo sapiens | K562 | IC50 | 100000.0 | nM | 10.1021/np500736b |
| Homo sapiens | MDA-MB-231 | IC50 | 1200.0 | nM | 10.1021/np500736b |
| Kocuria rhizophila | Kocuria rhizophila | MIC | 10500.0 | nM | 10.1021/np500736b |
| Proteus hauseri | Proteus hauseri | MIC | 21100.0 | nM | 10.1021/np500736b |
| Salmonella enterica | Salmonella enterica | MIC | 700.0 | nM | 10.1021/np500736b |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 10500.0 | nM | 10.1021/np500736b |
| None | NON-PROTEIN TARGET | IC50 | 800.0 | nM | 10.1021/np500736b |
| None | NON-PROTEIN TARGET | IC50 | 1900.0 | nM | 10.1021/np500736b |
| None | Unchecked | IC50 | 43200.0 | nM | 10.1021/np500736b |