134981-78-5
AlkaPlorer ID: AK028669
Synonym: None
IUPAC Name: 16,21,32,36-tetrabromo-4,17-dihydroxy-12,25-bis(hydroxyimino)-2,19-dioxa-10,27-diazapentacyclo[28.2.2.220,23.13,7.114,18]octatriaconta-1(32),3,5,7(38),14(37),15,17,20(36),21,23(35),30,33-dodecaene-11,26-dione
Structure
SMILES: O=C1NCCC2=CC=C(OC3=CC(=CC=C3O)CCNC(=O)C(=NO)CC3=CC(Br)=C(O)C(=C3)OC3=C(Br)C=C(C=C3Br)CC1=NO)C(Br)=C2
InChI: InChI=1S/C34H28Br4N4O8/c35-21-9-17-2-4-28(21)49-29-15-18(1-3-27(29)43)6-8-40-34(46)26(42-48)14-20-10-22(36)31(44)30(16-20)50-32-23(37)11-19(12-24(32)38)13-25(41-47)33(45)39-7-5-17/h1-4,9-12,15-16,43-44,47-48H,5-8,13-14H2,(H,39,45)(H,40,46)
InChIKey: XNGIESBQQZJDTL-UHFFFAOYSA-N
Reference
The Bastadins Revisited: New Chemistry From the Australian Marine Sponge Ianthella basta
PubChem CID: 74052093
LOTUS: LTS0090637
COCONUT: CNP0292836
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella quadrangulata | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 940.234
TPSA？: 182.3
MolLogP？: 7.509000000000006
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|