Ulleungmycin A
AlkaPlorer ID: AK036472
Synonym: None
IUPAC Name: (2R)-2-[(2R,5S,8R,11R,14S,17S)-17-(3-aminopropyl)-14-[(2R)-butan-2-yl]-5-[(5-chloro-1H-indol-3-yl)methyl]-11-(3-methylbutyl)-3,6,9,12,15,18-hexaoxo-8-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadec-2-yl]-2-hydroxyacetamide
Structure
SMILES: CC[C@@H](C)[C@@H]1NC(=O)[C@@H](CCC(C)C)NC(=O)[C@@H](C(C)C)NC(=O)[C@H](CC2=CNC3=CC=C(Cl)C=C23)NC(=O)[C@@H]([C@@H](O)C(N)=O)NC(=O)[C@H](CCCN)NC1=O
InChI: InChI=1S/C38H58ClN9O8/c1-7-20(6)29-37(55)43-25(9-8-14-40)33(51)48-30(31(49)32(41)50)38(56)45-27(15-21-17-42-24-13-11-22(39)16-23(21)24)35(53)46-28(19(4)5)36(54)44-26(34(52)47-29)12-10-18(2)3/h11,13,16-20,25-31,42,49H,7-10,12,14-15,40H2,1-6H3,(H2,41,50)(H,43,55)(H,44,54)(H,45,56)(H,46,53)(H,47,52)(H,48,51)/t20-,25+,26-,27+,28-,29+,30-,31-/m1/s1
InChIKey: BEHXRGQIVXRKLZ-HKNNKDHJSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. KCB13F003 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 804.3899999999998
TPSA？: 279.73
MolLogP？: 0.0096000000000099
Number of H-Donors: 10
Number of H-Acceptors: 9
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 8.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00660 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 8.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00660 |
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00660 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 128.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00660 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 8.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00660 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00660 |
| Streptococcus pneumoniae | Streptococcus pneumoniae | MIC | 16.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00660 |