Rhopaladin B
AlkaPlorer ID: AK368070
Synonym: None
IUPAC Name: [4-hydroxy-5-[(6-hydroxyindol-3-ylidene)methyl]-1H-imidazol-2-yl]-(1H-indol-3-yl)methanone
Structure
SMILES: O=C(C1=N/C(=C\C2=CNC3=CC(O)=CC=C23)C(O)=N1)C1=CNC2=CC=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)/b18-7-
InChIKey: DOCOAQYXWJFYRB-WSVATBPTSA-N
Reference
Rhopaladins A ∼ D, new indole alkaloids from marine tunicate Rhopalaea sp
LOTUS: LTS0244746
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Diazonidae | Aplousobranchia | Ascidiacea | Chordata | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 370.36800000000005
TPSA？: 113.83
MolLogP？: 3.947200000000002
Number of H-Donors: 4
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclin-dependent kinase 4 | IC50 | 12.5 | ug.mL-1 | 10.1016/j.bmcl.2016.04.080 |
| Homo sapiens | Cyclin-dependent kinase 4 | IC50 | 12500.0 | nM | 10.1016/j.ejmech.2017.04.078 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | IC50 | 7.4 | ug.mL-1 | 10.1016/j.bmcl.2016.04.080 |
| Homo sapiens | Receptor protein-tyrosine kinase erbB-2 | IC50 | 7400.0 | nM | 10.1016/j.ejmech.2017.04.078 |