Bastadin 26
AlkaPlorer ID: AK322007
Synonym: None
IUPAC Name: None
Structure
SMILES: O=S(=O)(O)OC1=C(Br)C=C2C=C1OC1=C(Br)C=C(C=C1Br)C(O)/C(=N\O)C(O)=NCCC1=CC(=C(O)C=C1)OC1=CC=C(C=C1Br)C(O)CN=C(O)/C(=N/O)C2
InChI: InChI=1S/C34H28Br4N4O13S/c35-19-11-17-2-4-26(19)53-27-9-15(1-3-24(27)43)5-6-39-34(47)29(42-49)30(45)18-12-21(37)31(22(38)13-18)54-28-10-16(7-20(36)32(28)55-56(50,51)52)8-23(41-48)33(46)40-14-25(17)44/h1-4,7,9-13,25,30,43-45,48-49H,5-6,8,14H2,(H,39,47)(H,40,46)(H,50,51,52)/b41-23+,42-29+
InChIKey: ULPCUXOFORECAE-ONZSAZKHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella flabelliformis | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1052.2959999999998
TPSA？: 273.11
MolLogP？: 7.647400000000011
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | nan | None | 10.1021/np100010z |
| None | Unchecked | IC50 | 206.0 | nM | 10.1021/np100010z |
| None | Unchecked | Inhibition | nan | % | 10.1021/np100010z |
| None | Unchecked | Ki | 100.0 | nM | 10.1021/np100010z |
| None | Unchecked | Selectivity ratio | 1000.0 | None | 10.1021/np100010z |