Rhopaladin A; Debromo, 6-deoxy
AlkaPlorer ID: AK001203
Synonym: Rhopaladin D
IUPAC Name: [4-hydroxy-5-(indol-3-ylidenemethyl)-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
Structure
SMILES: O=C1NC(C(=O)C2=CNC3=CC=CC=C23)=NC1=CC1=CNC2=CC=CC=C12
InChI: InChI=1S/C21H14N4O2/c26-19(15-11-23-17-8-4-2-6-14(15)17)20-24-18(21(27)25-20)9-12-10-22-16-7-3-1-5-13(12)16/h1-11,22-23H,(H,24,25,27)
InChIKey: INGKJXSXKYRLRK-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Rhopalaea | Diazonidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 354.369
TPSA？: 90.11
MolLogP？: 3.401300000000001
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|