Rhopaladin A; Debromo
AlkaPlorer ID: AK001107
Synonym: Rhopaladin B
IUPAC Name: [4-hydroxy-5-[(6-hydroxyindol-3-ylidene)methyl]-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
Structure
SMILES: O=C1NC(C(=O)C2=CNC3=CC=CC=C23)=NC1=CC1=CNC2=CC(O)=CC=C12
InChI: InChI=1S/C21H14N4O3/c26-12-5-6-13-11(9-22-17(13)8-12)7-18-21(28)25-20(24-18)19(27)15-10-23-16-4-2-1-3-14(15)16/h1-10,22-23,26H,(H,24,25,28)
InChIKey: DOCOAQYXWJFYRB-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Rhopalaea | Diazonidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 370.36800000000005
TPSA？: 110.34
MolLogP？: 3.1069000000000004
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|