Bastadin 19
AlkaPlorer ID: AK021178
Synonym: ''
IUPAC Name: 4,16,21,31,36-pentabromo-20,32-dihydroxy-12,25-bis(hydroxyimino)-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-dodecaene-11,26-dione
Structure
SMILES: O=C1NCCC2=CC(=C(Br)C=C2)OC2=CC=C(CCNC(=O)C(=NO)CC3=CC(Br)=C(O)C(=C3)OC3=C(Br)C=C(C=C3Br)CC1=NO)C(Br)=C2O
InChI: InChI=1S/C34H27Br5N4O8/c35-20-3-1-16-5-7-40-33(46)24(42-48)12-17-10-22(37)32(23(38)11-17)51-28-15-18(9-21(36)30(28)44)13-25(43-49)34(47)41-8-6-19-2-4-26(31(45)29(19)39)50-27(20)14-16/h1-4,9-11,14-15,44-45,48-49H,5-8,12-13H2,(H,40,46)(H,41,47)
InChIKey: CSKUNLPGOUDJTP-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1019.13
TPSA？: 182.3
MolLogP？: 8.271500000000005
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|