Topsentin A; 6,21-Dibromo, 13S,14-dihydro, 10S-alcohol
AlkaPlorer ID: AK316172
Synonym: Dihydrospongotine C
IUPAC Name: (6-bromo-1H-indol-3-yl)-[5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]methanol
Structure
SMILES: OC(C1=NCC(C2=CNC3=CC(Br)=CC=C23)N1)C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C20H16Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-8,18-19,23-24,27H,9H2,(H,25,26)
InChIKey: LPJIWKMDUUZZII-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Topsentia | None | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 488.1830000000001
TPSA？: 76.2
MolLogP？: 4.950600000000002
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|