Caracolamide A
AlkaPlorer ID: AK001700
Synonym: None
IUPAC Name: 8,8-dichloro-N-(2-phenylethyl)oct-7-enamide
Structure
SMILES: OC(CCCCCC=C(Cl)Cl)=NCCC1=CC=CC=C1
InChI: InChI=1S/C16H21Cl2NO/c17-15(18)10-6-1-2-7-11-16(20)19-13-12-14-8-4-3-5-9-14/h3-5,8-10H,1-2,6-7,11-13H2,(H,19,20)
InChIKey: TXMOJAGAWQKUHG-UHFFFAOYSA-N
Reference
PubChem CID: 139589768
LOTUS: LTS0141255
NPASS: NPC489840
COCONUT: CNP0073128
{NPAtlas: NPA022417
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Symploca | Microcoleaceae | Oscillatoriales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 314.256
TPSA？: 32.59
MolLogP？: 5.455100000000005
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NCI-H460 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.7b00367 |
| None | Unchecked | Inhibition | nan | % | 10.1021/acs.jnatprod.7b00367 |