Clethramycin; N-De(aminoiminomethyl), desulfo
AlkaPlorer ID: AK292691
Synonym: Mediomycin B
IUPAC Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,36E,44E,50E)-58-amino-13,15,29,33,35,39,41,43,47,49,53,55-dodecahydroxy-2,12,14,30-tetramethyl-31-oxooctapentaconta-2,4,6,10,16,18,20,22,24,26,36,44,50-tridecaenoic acid
Structure
SMILES: C/C(=C\C=C\C=C\CC/C=C/C(C)C(O)C(C)C(O)/C=C/C=C/C=C/C=C/C=C/C=C/CC(O)C(C)C(=O)CC(O)CC(O)/C=C/CC(O)CC(O)CC(O)/C=C/CC(O)CC(O)/C=C/CC(O)CC(O)CCCN)C(=O)O
InChI: InChI=1S/C62H97NO15/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(77)78)61(76)48(4)59(74)37-22-18-14-9-7-5-6-8-13-17-21-36-58(73)47(3)60(75)44-57(72)43-54(69)34-25-33-53(68)42-56(71)41-52(67)32-24-31-50(65)39-49(64)29-23-30-51(66)40-55(70)35-26-38-63/h5-10,12-14,16-25,27-29,32,34,37,45,47-59,61,64-74,76H,11,15,26,30-31,33,35-36,38-44,63H2,1-4H3,(H,77,78)/b6-5+,9-7+,12-10+,13-8+,18-14+,20-16+,21-17+,27-19+,29-23+,32-24+,34-25+,37-22+,46-28+
InChIKey: NVVJCDZZKMPNHL-XKRZGJQSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1096.4500000000005
TPSA？: 323.1499999999999
MolLogP？: 5.920000000000006
Number of H-Donors: 14
Number of H-Acceptors: 15
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 16.0 | ug.mL-1 | 10.1021/np060542f |
| Aspergillus niger | Aspergillus niger | MIC | 1.0 | ug.mL-1 | 10.1021/np060542f |
| Candida albicans | Candida albicans | MIC | 1.0 | ug.mL-1 | 10.1021/np060542f |
| Candida parapsilosis | Candida parapsilosis | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |
| Candida parapsilosis | Candida parapsilosis | MIC | 4.0 | ug.mL-1 | 10.1021/np060542f |
| Candida tropicalis | Candida tropicalis | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |
| Clavispora lusitaniae | Clavispora lusitaniae | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |
| Diutina rugosa | Diutina rugosa | MIC | 1.0 | ug.mL-1 | 10.1021/np060542f |
| Kluyveromyces marxianus | Kluyveromyces marxianus | MIC | 1.0 | ug.mL-1 | 10.1021/np060542f |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC | 1.0 | ug.mL-1 | 10.1021/np060542f |