Tiahuramide C
AlkaPlorer ID: AK114850
Synonym: None
IUPAC Name: (3S,6S,9S,12S,13R,16S,19S)-3-benzyl-16-[(2S)-butan-2-yl]-7,12,17-trimethyl-13-pentyl-6,9-di(propan-2-yl)-4,14-dioxa-1,7,10,17-tetrazabicyclo[17.3.0]docosane-2,5,8,11,15,18-hexone
Structure
SMILES: CCCCC[C@H]1OC(=O)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)OC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](C(C)C)N=C(O)[C@H]1C
InChI: InChI=1S/C41H64N4O8/c1-11-13-15-22-31-28(8)36(46)42-33(25(3)4)39(49)43(9)34(26(5)6)40(50)53-32(24-29-19-16-14-17-20-29)38(48)45-23-18-21-30(45)37(47)44(10)35(27(7)12-2)41(51)52-31/h14,16-17,19-20,25-28,30-35H,11-13,15,18,21-24H2,1-10H3,(H,42,46)/t27-,28-,30-,31+,32-,33-,34-,35-/m0/s1
InChIKey: XLHASFYAUGQJAG-YYUBPKKPSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 740.9830000000001
TPSA？: 146.12
MolLogP？: 5.610900000000005
Number of H-Donors: 1
Number of H-Acceptors: 8
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Aeromonas salmonicida | Aeromonas salmonicida | MIC | 6700.0 | nM | 10.1021/acs.jnatprod.7b00751 |
| Escherichia coli | Escherichia coli | MIC | 14000.0 | nM | 10.1021/acs.jnatprod.7b00751 |
| Homo sapiens | SH-SY5Y | Activity | 7.9 | % | 10.1021/acs.jnatprod.7b00751 |
| Homo sapiens | SH-SY5Y | Activity | 36.0 | % | 10.1021/acs.jnatprod.7b00751 |
| Homo sapiens | SH-SY5Y | Activity | nan | None | 10.1021/acs.jnatprod.7b00751 |
| Homo sapiens | SH-SY5Y | IC50 | 6000.0 | nM | 10.1021/acs.jnatprod.7b00751 |
| Micrococcus luteus | Micrococcus luteus | MIC | 17000.0 | nM | 10.1021/acs.jnatprod.7b00751 |
| Paracentrotus lividus | Paracentrotus lividus | IC50 | 7000.0 | nM | 10.1021/acs.jnatprod.7b00751 |
| Paracentrotus lividus | Paracentrotus lividus | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00751 |
| Shewanella baltica | Shewanella baltica | MIC | 16000.0 | nM | 10.1021/acs.jnatprod.7b00751 |
| Vibrio anguillarum | Vibrio anguillarum | MIC | 7000.0 | nM | 10.1021/acs.jnatprod.7b00751 |