Bastadin 4; 16-Debromo
AlkaPlorer ID: AK031834
Synonym: Bastadin 11
IUPAC Name: 16,21,32,36-tetrabromo-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),14,16,19,21,23(35),28,30,33,36-tridecaene-11,26-dione
Structure
SMILES: O=C1NC=CC2=CC=C(OC3=CC(=CC=C3O)CCNC(=O)C(=NO)CC3=CC(Br)=C(OC4=CC(=CC(Br)=C4O)CC1=NO)C(Br)=C3)C(Br)=C2
InChI: InChI=1S/C34H26Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-33(45)25(41-47)13-19-11-23(37)32(24(38)12-19)50-30-16-20(10-22(36)31(30)44)14-26(42-48)34(46)39-7-5-17/h1-5,7,9-12,15-16,43-44,47-48H,6,8,13-14H2,(H,39,46)(H,40,45)
InChIKey: RBCRIVNEAVWDIU-UHFFFAOYSA-N
Reference
New bastadins from the sponge Ianthella basta
PubChem CID: 74043482
CAS: 127687-09-6
LOTUS: LTS0006738
COCONUT: CNP0252406
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 938.218
TPSA？: 182.3
MolLogP？: 7.937200000000005
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|