Pseudoceratinine B
AlkaPlorer ID: AK311464
Synonym: None
IUPAC Name: [1-[2-(2-amino-1H-imidazol-5-yl)ethylamino]-3-(3,5-dibromo-4-methoxyphenyl)-1-oxopropan-2-yl]-trimethylazanium
Structure
SMILES: COC1=C(Br)C=C(CC(C(=O)NCCC2=CN=C(N)N2)[N+](C)(C)C)C=C1Br
InChI: InChI=1S/C18H25Br2N5O2/c1-25(2,3)15(9-11-7-13(19)16(27-4)14(20)8-11)17(26)22-6-5-12-10-23-18(21)24-12/h7-8,10,15H,5-6,9H2,1-4H3,(H3-,21,22,23,24,26)/p+1
InChIKey: ZWPOYDSDGUGVKN-UHFFFAOYSA-O
Reference
CAS: 172670-15-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina verrucosa | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 504.2470000000002
TPSA？: 93.03
MolLogP？: 2.5017000000000005
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|