127709-45-9
AlkaPlorer ID: AK038451
Synonym: None
IUPAC Name: (12Z,29S)-5,16,21,32,36-pentabromo-4,20,29-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: ON=C1CC2=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=C2Br)[C@H](O)CN=C1O
InChI: InChI=1S/C34H27Br5N4O9/c35-19-13-18-1-2-27(19)51-28-11-15(5-20(36)30(28)45)3-4-40-33(47)24(42-49)9-16-7-22(38)32(23(39)8-16)52-29-12-17(6-21(37)31(29)46)10-25(43-50)34(48)41-14-26(18)44/h1-2,5-8,11-13,26,44-46,49-50H,3-4,9-10,14H2,(H,40,47)(H,41,48)/b42-24+,43-25?/t26-/m1/s1
InChIKey: XRCOVLHHCDFIHF-BJROWRAMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Ianthella basta | Ianthella | Ianthellidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 1035.129
TPSA？: 209.51
MolLogP？: 9.443
Number of H-Donors: 7
Number of H-Acceptors: 11
RingCount: 8
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|