368422-40-6
AlkaPlorer ID: AK041950
Synonym: 'Tokaradine C'
IUPAC Name: N-[4-(3-aminopropylamino)butyl]-3-(3,5-dibromo-4-methoxyphenyl)prop-2-enamide
Structure
SMILES: COC1=C(Br)C=C(C=CC(O)=NCCCCNCCCN)C=C1Br
InChI: InChI=1S/C17H25Br2N3O2/c1-24-17-14(18)11-13(12-15(17)19)5-6-16(23)22-10-3-2-8-21-9-4-7-20/h5-6,11-12,21H,2-4,7-10,20H2,1H3,(H,22,23)
InChIKey: BLVNHVOZLUNYRJ-UHFFFAOYSA-N
Reference
Three new bromotyrosine derivatives lethal to crab from the marine sponge, Pseudoceratina purpurea
PubChem CID: 73837080
LOTUS: LTS0272657
COCONUT: CNP0102593
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina purpurea | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 463.2140000000002
TPSA？: 79.87
MolLogP？: 3.908500000000002
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|