Molokaiamine; N3''-[(Aminocarbonyl)carbonyl]
AlkaPlorer ID: AK052886
Synonym: Molokaiakitamide
IUPAC Name: N'-[3-[4-(2-aminoethyl)-2,6-dibromophenoxy]propyl]oxamide
Structure
SMILES: NCCC1=CC(Br)=C(OCCCNC(=O)C(N)=O)C(Br)=C1
InChI: InChI=1S/C13H17Br2N3O3/c14-9-6-8(2-3-16)7-10(15)11(9)21-5-1-4-18-13(20)12(17)19/h6-7H,1-5,16H2,(H2,17,19)(H,18,20)
InChIKey: NMOWVTVURUKLSV-UHFFFAOYSA-N
Reference
Bioactive Brominated Metabolites from the Red Sea Sponge <i>Pseudoceratina arabica</i>
PubChem CID: 25016409
CAS: 1047632-30-3
LOTUS: LTS0079220
NPASS: NPC308571
COCONUT: CNP0124196
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 423.1050000000001
TPSA？: 107.44
MolLogP？: 1.0831999999999995
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | IZ | 3.0 | mm | 10.1021/np8002113 |
| Homo sapiens | HCT-116 | Activity | nan | None | 10.1021/np8002113 |
| Oryctolagus cuniculus | Heart | Activity | nan | None | 10.1021/np8002113 |
| Oryctolagus cuniculus | Jejunum | Activity | nan | None | 10.1021/np8002113 |