Thermoactinoamide A
AlkaPlorer ID: AK053613
Synonym: None
IUPAC Name: (3R,6S,9R,12S,15S,18R)-3-[(2S)-butan-2-yl]-18-[(4-hydroxyphenyl)methyl]-6,9,12-tris(2-methylpropyl)-15-propan-2-yl-1,4,7,10,13,16-hexazacyclooctadecane-2,5,8,11,14,17-hexone
Structure
SMILES: CC[C@H](C)[C@H]1N=C(O)[C@H](CC(C)C)N=C(O)[C@@H](CC(C)C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C(C)C)N=C(O)[C@@H](CC2=CC=C(O)C=C2)N=C1O
InChI: InChI=1S/C38H62N6O7/c1-11-24(10)32-38(51)42-30(19-25-12-14-26(45)15-13-25)36(49)43-31(23(8)9)37(50)41-28(17-21(4)5)34(47)39-27(16-20(2)3)33(46)40-29(18-22(6)7)35(48)44-32/h12-15,20-24,27-32,45H,11,16-19H2,1-10H3,(H,39,47)(H,40,46)(H,41,50)(H,42,51)(H,43,49)(H,44,48)/t24-,27+,28-,29-,30+,31-,32+/m0/s1
InChIKey: UIQRJAVAEKADLA-IEWQEYRSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Thermoactinomyces vulgaris | Thermoactinomyces | Thermoactinomycetaceae | Bacillales | Bacilli | Bacillota | None | Bacteria |
Properties Information
Molecule Weight: 714.9490000000002
TPSA？: 215.77
MolLogP？: 7.739300000000008
Number of H-Donors: 7
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus cereus | Bacillus cereus | Activity | nan | None | 10.1021/acs.jnatprod.7b00560 |
| Enterococcus faecalis | Enterococcus faecalis | Activity | nan | None | 10.1021/acs.jnatprod.7b00560 |
| Escherichia coli | Escherichia coli | Activity | nan | None | 10.1021/acs.jnatprod.7b00560 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Activity | nan | None | 10.1021/acs.jnatprod.7b00560 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Activity | nan | None | 10.1021/acs.jnatprod.7b00560 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 35000.0 | nM | 10.1021/acs.jnatprod.7b00560 |