Bastadin 24
AlkaPlorer ID: AK088380
Synonym: '(-)-Bastadin 24'
IUPAC Name: (12E,13R,25E)-5,16,21,32,33,36-hexabromo-4,13,20-trihydroxy-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/N=C1/CC2=CC(Br)=C(O)C(=C2)OC2=C(Br)C=C(C=C2Br)[C@@H](O)/C(=N/O)C(O)=NCCC2=CC(Br)=C(O)C(=C2)OC2=C(Br)C=C(C=C2Br)CCN=C1O
InChI: InChI=1S/C34H26Br6N4O9/c35-18-5-15-2-4-42-34(49)27(44-51)28(45)17-12-22(39)32(23(40)13-17)53-26-11-16(8-19(36)30(26)47)9-24(43-50)33(48)41-3-1-14-6-20(37)31(21(38)7-14)52-25(10-15)29(18)46/h5-8,10-13,28,45-47,50-51H,1-4,9H2,(H,41,48)(H,42,49)/b43-24-,44-27-/t28-/m1/s1
InChIKey: MHAGECXZXFMEGD-NOQNPNMDSA-N
Reference
Cytotoxic Bastadin 24 from the Australian Sponge <i>Ianthella quadrangulata</i>
PubChem CID: 172960934
LOTUS: LTS0129782
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella quadrangulata | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1114.025
TPSA？: 209.51
MolLogP？: 10.205499999999992
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|