Bastadin 4; 11-Bromo, 28-debromo, 20,21-didehydro, 5,6-dihydro
AlkaPlorer ID: AK076533
Synonym: Bastadin 23
IUPAC Name: 5,16,21,32,33-pentabromo-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=CC=C(C=C2Br)CC1=NO
InChI: InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-15-19(11-22(37)30(28)44)13-26(43-49)34(47)40-5-3-17-9-23(38)32(24(39)10-17)51-29-14-18(8-21(36)31(29)45)4-6-41-33(46)25(12-16)42-48/h1-2,4,6-11,14-15,44-45,48-49H,3,5,12-13H2,(H,40,47)(H,41,46)
InChIKey: ABMDRXAYXLEAKM-UHFFFAOYSA-N
Reference
New anticancer bastadin alkaloids from the sponge Dendrilla cactos
PubChem CID: 73838184
LOTUS: LTS0204068
COCONUT: CNP0197776
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dendrilla | Darwinellidae | Dendroceratida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1017.1139999999998
TPSA？: 182.3
MolLogP？: 8.699700000000004
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|