Tamulamide B
AlkaPlorer ID: AK069142
Synonym: None
IUPAC Name: N-[[(1R,3S,5R,7S,9R,10S,12R,14S,16R,19S,21R,24S,26R,29R,31S)-9-hydroxy-14-methyl-26-[(1E,3E)-5-oxopenta-1,3-dienyl]-2,6,11,15,20,25,30-heptaoxaheptacyclo[17.13.0.03,16.05,14.07,12.021,31.024,29]dotriaconta-17,22,27-trien-10-yl]methyl]acetamide
Structure
SMILES: CC(O)=NC[C@@H]1O[C@@H]2C[C@]3(C)O[C@@H]4C=C[C@@H]5O[C@@H]6C=C[C@@H]7O[C@H](/C=C/C=C/C=O)C=C[C@H]7O[C@H]6C[C@H]5O[C@H]4C[C@H]3O[C@H]2C[C@H]1O
InChI: InChI=1S/C34H43NO10/c1-19(37)35-18-32-21(38)14-27-31(43-32)17-34(2)33(44-27)16-30-26(45-34)12-11-25-29(42-30)15-28-24(40-25)10-9-22-23(41-28)8-7-20(39-22)6-4-3-5-13-36/h3-13,20-33,38H,14-18H2,1-2H3,(H,35,37)/b5-3+,6-4+/t20-,21-,22+,23-,24-,25+,26-,27+,28+,29-,30+,31-,32+,33-,34+/m1/s1
InChIKey: CPSGTWUSXJPPFV-WBUGLCRUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Karenia brevis | Karenia | Kareniaceae | Gymnodiniales | Dinophyceae | None | None | Eukaryota |
| Karenia brevis | Karenia | Kareniaceae | Gymnodiniales | Dinophyceae | None | None | Eukaryota |
Properties Information
Molecule Weight: 625.7150000000001
TPSA？: 134.50000000000003
MolLogP？: 2.625900000000001
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Gambusia affinis | Gambusia affinis | Activity | nan | None | 10.1021/np900541w |
| Ovis aries | Ovis aries | Activity | 33.0 | % | 10.1021/np900541w |
| Ovis aries | Ovis aries | Activity | 34.0 | % | 10.1021/np900541w |
| Ovis aries | Ovis aries | Activity | 36.0 | % | 10.1021/np900541w |
| Ovis aries | Ovis aries | Activity | 37.0 | % | 10.1021/np900541w |
| None | Unchecked | Ki | 210.0 | nM | 10.1021/np900541w |