Ceratinine B
AlkaPlorer ID: AK111979
Synonym: None
IUPAC Name: 3-[1-[(5,7-dibromo-4-methyl-2,3-dihydro-1H-indol-6-yl)oxy]ethyl]oxiran-2-amine
Structure
SMILES: CC1=C2CCNC2=C(Br)C(OC(C)C2OC2N)=C1Br
InChI: InChI=1S/C13H16Br2N2O2/c1-5-7-3-4-17-10(7)9(15)12(8(5)14)18-6(2)11-13(16)19-11/h6,11,13,17H,3-4,16H2,1-2H3
InChIKey: CJMUVRQAZKXATD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pseudoceratina arabica | Pseudoceratina | Pseudoceratinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 392.09100000000007
TPSA？: 59.81
MolLogP？: 2.9389200000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|