Bastadin 4; 16-Debromo, 15-O-sulfate
AlkaPlorer ID: AK051860
Synonym: Bastadin 11 15-sulfate, 15-O-Sulfonatobastadin 11
IUPAC Name: [16,21,32,36-tetrabromo-20-hydroxy-12,25-bis(hydroxyimino)-11,26-dioxo-2,18-dioxa-10,27-diazapentacyclo[28.2.2.214,17.13,7.119,23]octatriaconta-1(32),3,5,7(38),14,16,19,21,23(35),28,30,33,36-tridecaen-4-yl] hydrogen sulfate
Structure
SMILES: O=C1NC=CC2=CC=C(OC3=CC(=CC=C3OS(=O)(=O)O)CCNC(=O)C(=NO)CC3=CC(Br)=C(OC4=CC(=CC(Br)=C4O)CC1=NO)C(Br)=C3)C(Br)=C2
InChI: InChI=1S/C34H26Br4N4O11S/c35-21-9-17-1-3-27(21)51-29-15-18(2-4-28(29)53-54(48,49)50)6-8-40-33(44)25(41-46)13-19-11-23(37)32(24(38)12-19)52-30-16-20(10-22(36)31(30)43)14-26(42-47)34(45)39-7-5-17/h1-5,7,9-12,15-16,43,46-47H,6,8,13-14H2,(H,39,45)(H,40,44)(H,48,49,50)
InChIKey: ZTKIGVVADIRILR-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella flabelliformis | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1018.282
TPSA？: 225.67
MolLogP？: 7.413200000000004
Number of H-Donors: 6
Number of H-Acceptors: 12
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|