Grenadamide B
AlkaPlorer ID: AK299650
Synonym: None
IUPAC Name: (5E)-5-(chloromethylidene)-N-(4,6-dimethyl-5-oxodec-9-en-2-yl)octanamide
Structure
SMILES: C=CCCC(C)C(=O)C(C)CC(C)N=C(O)CCC/C(=C/Cl)CCC
InChI: InChI=1S/C21H36ClNO2/c1-6-8-11-16(3)21(25)17(4)14-18(5)23-20(24)13-9-12-19(15-22)10-7-2/h6,15-18H,1,7-14H2,2-5H3,(H,23,24)/b19-15+
InChIKey: MTSIKQYOKFAJKC-XDJHFCHBSA-N
Reference
PubChem CID: 44479217
CAS: 1187486-22-1
LOTUS: LTS0220823
NPASS: NPC469492
{NPAtlas: NPA014473
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Lyngbya majuscula | Lyngbya | Oscillatoriaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 369.97700000000015
TPSA？: 49.66
MolLogP？: 6.622100000000008
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HEK293 | IC50 | 100000.0 | nM | 10.1021/np900173d |
| Spodoptera exigua | Spodoptera exigua | Activity | 38.0 | % | 10.1021/np900173d |