Bastadin 4; 11-Bromo, 5,6-dihydro
AlkaPlorer ID: AK290190
Synonym: Bastadin 6, Cyclobastadin 3
IUPAC Name: None
Structure
SMILES: O=C1NCCC2=CC(Br)=C(O)C(=C2)OC2=C(Br)C=C(C=C2Br)CCNC(=O)/C(=N\O)CC2=CC(Br)=C(O)C(=C2)OC2=C(Br)C=C(C=C2Br)C/C1=N/O
InChI: InChI=1S/C34H26Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h5-10,13-14,45-46,49-50H,1-4,11-12H2,(H,41,48)(H,42,47)/b43-25-,44-26-
InChIKey: WSOCBHDTRCSWRH-LJDMBYTLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1098.0259999999998
TPSA？: 182.3
MolLogP？: 9.034
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Ryanodine receptor 1 | EC50 | 2600.0 | nM | 10.1021/np020382h |