Bastadin 4; 16-Debromo, 5,6-dihydro, 6ξ,25ξ-dihydroxy, 34-O-sulfate
AlkaPlorer ID: AK290195
Synonym: Bastadin 26
IUPAC Name: [(12E,25E)-16,21,32,36-tetrabromo-4,13,29-trihydroxy-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),30,33,36-dodecaen-20-yl] hydrogen sulfate
Structure
SMILES: O=C1NCC(O)C2=CC=C(OC3=CC(=CC=C3O)CCNC(=O)/C(=N\O)C(O)C3=CC(Br)=C(OC4=CC(=CC(Br)=C4OS(=O)(=O)O)C/C1=N/O)C(Br)=C3)C(Br)=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-YPORJRDNSA-N
Reference
CAS: 1229010-60-9
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella flabelliformis | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1052.296
TPSA？: 266.13
MolLogP？: 5.966800000000003
Number of H-Donors: 8
Number of H-Acceptors: 14
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|