Clethramycin; N-De(aminoiminomethyl)
AlkaPlorer ID: AK292690
Synonym: Mediomycin A
IUPAC Name: (2E,4E,6E,10E,16E,18E,20E,22E,24E,26E,36E,44E,50E)-58-amino-13,15,33,35,39,41,43,47,49,53,55-undecahydroxy-2,12,14,30-tetramethyl-31-oxo-29-sulfooxyoctapentaconta-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(OS(=O)(=O)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/C62H97NO18S/c1-45(27-19-15-11-10-12-16-20-28-46(2)62(76)77)61(75)48(4)58(73)36-21-17-13-8-6-5-7-9-14-18-22-37-60(81-82(78,79)80)47(3)59(74)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/h5-10,12-14,16-25,27-29,32,34,36,45,47-58,60-61,64-73,75H,11,15,26,30-31,33,35,37-44,63H2,1-4H3,(H,76,77)(H,78,79,80)/b7-5+,8-6+,12-10+,14-9+,17-13+,20-16+,22-18+,27-19+,29-23+,32-24+,34-25+,36-21+,46-28+
InChIKey: RDEZRSOXSQHNOU-MZAOIEPISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1176.5140000000006
TPSA？: 366.52
MolLogP？: 5.747100000000006
Number of H-Donors: 14
Number of H-Acceptors: 17
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus fumigatus | MIC | 128.0 | ug.mL-1 | 10.1021/np060542f |
| Aspergillus niger | Aspergillus niger | MIC | 1.0 | ug.mL-1 | 10.1021/np060542f |
| Candida albicans | Candida albicans | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |
| Candida albicans | Candida albicans | MIC | 4.0 | ug.mL-1 | 10.1021/np060542f |
| Candida parapsilosis | Candida parapsilosis | MIC | 16.0 | ug.mL-1 | 10.1021/np060542f |
| Candida tropicalis | Candida tropicalis | MIC | 8.0 | ug.mL-1 | 10.1021/np060542f |
| Candida tropicalis | Candida tropicalis | MIC | 16.0 | ug.mL-1 | 10.1021/np060542f |
| Clavispora lusitaniae | Clavispora lusitaniae | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |
| Diutina rugosa | Diutina rugosa | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |
| Kluyveromyces marxianus | Kluyveromyces marxianus | MIC | 1.0 | ug.mL-1 | 10.1021/np060542f |
| Pichia kudriavzevii | Pichia kudriavzevii | MIC | 2.0 | ug.mL-1 | 10.1021/np060542f |