Bastadin 4; 11-Bromo, 20,21-didehydro, 5,6-dihydro
AlkaPlorer ID: AK076521
Synonym: Bastadin 22
IUPAC Name: 5,16,21,32,33,36-hexabromo-4,20-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),8,14,16,19,21,23(35),30,33,36-tridecaene-11,26-dione
Structure
SMILES: O=C1NC=CC2=CC(=C(O)C(Br)=C2)OC2=C(Br)C=C(C=C2Br)CCNC(=O)C(=NO)CC2=CC(=C(O)C(Br)=C2)OC2=C(Br)C=C(C=C2Br)CC1=NO
InChI: InChI=1S/C34H24Br6N4O8/c35-19-5-16-2-4-42-33(47)25(43-49)11-17-9-23(39)32(24(40)10-17)52-28-14-18(8-20(36)30(28)46)12-26(44-50)34(48)41-3-1-15-6-21(37)31(22(38)7-15)51-27(13-16)29(19)45/h2,4-10,13-14,45-46,49-50H,1,3,11-12H2,(H,41,48)(H,42,47)
InChIKey: LSJREQSQASJLRI-UHFFFAOYSA-N
Reference
New anticancer bastadin alkaloids from the sponge Dendrilla cactos
PubChem CID: 73838185
LOTUS: LTS0141078
COCONUT: CNP0281087
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dendrilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1096.01
TPSA？: 182.3
MolLogP？: 9.4622
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|