Bastadin 4
AlkaPlorer ID: AK319846
Synonym: None
IUPAC Name: (12Z,25Z,28E)-5,16,21,32,36-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),14,16,19,21,23(35),28,30,33,36-tridecaene-11,26-dione
Structure
SMILES: O/N=C1\CC2=CC(=C(O)C(Br)=C2)OC2=C(Br)C=C(C=C2Br)C/C(=N\O)C(O)=NCCC2=CC(Br)=C(O)C(=C2)OC2=CC=C(/C=C/N=C1O)C=C2Br
InChI: InChI=1S/C34H25Br5N4O8/c35-20-7-16-1-2-27(20)50-28-14-17(8-21(36)30(28)44)4-6-41-33(46)25(42-48)12-18-10-23(38)32(24(39)11-18)51-29-15-19(9-22(37)31(29)45)13-26(43-49)34(47)40-5-3-16/h1-3,5,7-11,14-15,44-45,48-49H,4,6,12-13H2,(H,40,47)(H,41,46)/b5-3+,42-25+,43-26+
InChIKey: YCBNAUHIFJRIQW-XDDRAWHZSA-N
Reference
New bastadins from the sponge Ianthella basta
PubChem CID: 10328662
LOTUS: LTS0255899
SuperNatural Ⅲ: SN0446260-05
NPASS: NPC301941
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1017.114
TPSA？: 189.28
MolLogP？: 10.380299999999997
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8