8-Chloro-7-propyl-4,7-octadienoic acid; (4E,7E)-form, 2-Phenylethylamide
AlkaPlorer ID: AK292338
Synonym: Credneramide A
IUPAC Name: (E,7E)-7-(chloromethylidene)-N-(2-phenylethyl)dec-4-enamide
Structure
SMILES: CCC/C(=C\Cl)C/C=C/CCC(O)=NCCC1=CC=CC=C1
InChI: InChI=1S/C19H26ClNO/c1-2-9-18(16-20)12-7-4-8-13-19(22)21-15-14-17-10-5-3-6-11-17/h3-7,10-11,16H,2,8-9,12-15H2,1H3,(H,21,22)/b7-4+,18-16+
InChIKey: OJYMBSRQFFWVDQ-DYLVBWQHSA-N
Reference
PubChem CID: 57332910
CAS: 1352612-12-4
LOTUS: LTS0154074
NPASS: NPC12429
{NPAtlas: NPA016813
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichodesmium sp. | Trichodesmium | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 319.876
TPSA？: 32.59
MolLogP？: 5.834900000000005
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | IC50 | 4000.0 | nM | 10.1021/np200611f |