UNPD36860
AlkaPlorer ID: AK536807
Synonym: None
IUPAC Name: [(12Z,25Z,28E)-16,21,32,36-tetrabromo-13,20-dihydroxy-12,25-bis(hydroxyimino)-11,26-dioxo-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-tridecaen-4-yl] hydrogen sulfate
Structure
SMILES: O=S(=O)(O)OC1=C2C=C(C=C1)CCN=C(O)/C(=N/O)C(O)C1=CC(Br)=C(OC3=CC(=CC(Br)=C3O)CC(=N\O)/C(O)=N/C=C/C3=CC=C(O2)C(Br)=C3)C(Br)=C1
InChI: InChI=1S/C34H26Br4N4O12S/c35-20-9-16-1-3-25(20)52-27-12-17(2-4-26(27)54-55(49,50)51)6-8-40-34(46)29(42-48)30(43)19-14-22(37)32(23(38)15-19)53-28-13-18(10-21(36)31(28)44)11-24(41-47)33(45)39-7-5-16/h1-5,7,9-10,12-15,30,43-44,47-48H,6,8,11H2,(H,39,45)(H,40,46)(H,49,50,51)/b7-5+,41-24+,42-29+
InChIKey: UJTNPKWCLIIJQR-LSUACVJQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella flabelliformis | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1034.281
TPSA？: 252.88
MolLogP？: 8.584700000000002
Number of H-Donors: 7
Number of H-Acceptors: 13
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Unchecked | Activity | nan | None | 10.1021/np100010z |
| None | Unchecked | Inhibition | 39.0 | % | 10.1021/np100010z |
| None | Unchecked | Inhibition | 86.0 | % | 10.1021/np100010z |