Hermitamide B
AlkaPlorer ID: AK026938
Synonym: None
IUPAC Name: (E,7S)-N-[2-(1H-indol-3-yl)ethyl]-7-methoxytetradec-4-enamide
Structure
SMILES: CCCCCCC[C@@H](C/C=C/CCC(=O)NCCC1=CNC2=CC=CC=C12)OC
InChI: InChI=1S/C25H38N2O2/c1-3-4-5-6-8-13-22(29-2)14-9-7-10-17-25(28)26-19-18-21-20-27-24-16-12-11-15-23(21)24/h7,9,11-12,15-16,20,22,27H,3-6,8,10,13-14,17-19H2,1-2H3,(H,26,28)/b9-7+/t22-/m0/s1
InChIKey: OHYDYQKPXIXRBQ-GLJAUCNMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 398.59100000000007
TPSA？: 54.120000000000005
MolLogP？: 5.928600000000006
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Artemia salina | Artemia salina | LD50 | 18.0 | uM | 10.1021/np000037x |
| Biomphalaria glabrata | Biomphalaria glabrata | Activity | nan | None | 10.1021/np000037x |
| Carassius auratus | Carassius auratus | LD50 | 25.0 | uM | 10.1021/np000037x |
| Homo sapiens | Sodium channel protein type II alpha subunit | Inhibition | 17.2 | % | 10.1016/j.bmc.2011.05.043 |
| Homo sapiens | Sodium channel protein type II alpha subunit | Inhibition | 87.8 | % | 10.1016/j.bmc.2011.05.043 |
| Homo sapiens | Sodium channel protein type II alpha subunit | Inhibition | 100.0 | % | 10.1016/j.bmc.2011.05.043 |
| None | ADMET | IC50 | 5500.0 | nM | 10.1021/np000037x |
| None | Unchecked | Activity | 29.02 | % | 10.1016/j.bmc.2011.05.043 |