Tamulamide A
AlkaPlorer ID: AK098322
Synonym: None
IUPAC Name: N-[[(1R,3S,5R,7S,9R,10S,12R,14S,16R,19S,21R,24S,26R,29R,31S)-9-hydroxy-3,14-dimethyl-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@@]4(C)C[C@H]3O[C@H]2C[C@H]1O
InChI: InChI=1S/C35H45NO10/c1-20(38)36-19-31-22(39)15-27-30(43-31)17-34(2)33(44-27)18-35(3)32(46-34)13-12-26-29(45-35)16-28-25(41-26)11-10-23-24(42-28)9-8-21(40-23)7-5-4-6-14-37/h4-14,21-33,39H,15-19H2,1-3H3,(H,36,38)/b6-4+,7-5+/t21-,22-,23+,24-,25-,26+,27+,28+,29-,30-,31+,32-,33-,34+,35+/m1/s1
InChIKey: QBNANTHTVCSSKS-PXIDHJHOSA-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: 639.7420000000001
TPSA？: 131.01000000000002
MolLogP？: 2.175700000000002
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 | 34.0 | % | 10.1021/np900541w |
| Ovis aries | Ovis aries | Activity | 39.0 | % | 10.1021/np900541w |
| Ovis aries | Ovis aries | Activity | 42.0 | % | 10.1021/np900541w |
| Ovis aries | Ovis aries | Activity | 43.0 | % | 10.1021/np900541w |
| None | Unchecked | Ki | 2500.0 | nM | 10.1021/np900541w |