8-Chloro-7-propyl-4,7-octadienoic acid; (4E,7E)-form, 3-Methylbutylamide
AlkaPlorer ID: AK292337
Synonym: Credneramide B
IUPAC Name: (E,7E)-7-(chloromethylidene)-N-(3-methylbutyl)dec-4-enamide
Structure
SMILES: CCC/C(=C\Cl)C/C=C/CCC(O)=NCCC(C)C
InChI: InChI=1S/C16H28ClNO/c1-4-8-15(13-17)9-6-5-7-10-16(19)18-12-11-14(2)3/h5-6,13-14H,4,7-12H2,1-3H3,(H,18,19)/b6-5+,15-13+
InChIKey: WHDZTXRZTFGPRJ-HQYXJCMVSA-N
Reference
PubChem CID: 57332911
CAS: 1352612-13-5
LOTUS: LTS0221452
NPASS: NPC210999
{NPAtlas: NPA000551
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichodesmium sp. | Trichodesmium | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 285.859
TPSA？: 32.59
MolLogP？: 5.638300000000005
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 0
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 3900.0 | nM | 10.1021/np200611f |