Bastadin 13; 28-Debromo, 9-bromo
AlkaPlorer ID: AK290204
Synonym: Bastadin 20
IUPAC Name: (12Z,25Z)-5,16,21,32-tetrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3,5,7(38),14(37),15,17,20,22,30,33,35-dodecaene-11,26-dione
Structure
SMILES: O/N=C1\CC2=CC=C(OC3=CC(=CC(Br)=C3O)C/C(=N\O)C(O)=NCCC3=CC(Br)=C(O)C(=C3)OC3=CC=C(C=C3Br)CCN=C1O)C(Br)=C2
InChI: InChI=1S/C34H28Br4N4O8/c35-21-9-17-1-3-27(21)49-29-15-19(11-23(37)31(29)43)6-8-40-34(46)26(42-48)14-20-12-24(38)32(44)30(16-20)50-28-4-2-18(10-22(28)36)13-25(41-47)33(45)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,45)(H,40,46)/b41-25+,42-26+
InChIKey: GBHLAOKSDGGNNZ-RIVOPQIESA-N
Reference
PubChem CID: 9941143
CAS: 184679-29-6
LOTUS: LTS0043683
SuperNatural Ⅲ: SN0101079-03
NPASS: NPC225130
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 940.234
TPSA？: 189.28
MolLogP？: 9.1896
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Oryctolagus cuniculus | Ryanodine receptor 1 | EC50 | 20600.0 | nM | 10.1021/np960507g |