Chelonin B; (S)-form, 5-Bromo
AlkaPlorer ID: AK043948
Synonym: Bromochelonin B
IUPAC Name: 2-[2-(5-bromo-1H-indol-3-yl)ethylamino]-1-(3-bromo-4-methoxyphenyl)ethanol
Structure
SMILES: COC1=CC=C(C(O)CNCCC2=CNC3=CC=C(Br)C=C23)C=C1Br
InChI: InChI=1S/C19H20Br2N2O2/c1-25-19-5-2-12(8-16(19)21)18(24)11-22-7-6-13-10-23-17-4-3-14(20)9-15(13)17/h2-5,8-10,18,22-24H,6-7,11H2,1H3
InChIKey: IAVFUFSZGXLMGT-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Chelonaplysilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Dendrilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 468.189
TPSA？: 57.28
MolLogP？: 4.567200000000002
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|