Aerothionin; 2''-Oxo
AlkaPlorer ID: AK283407
Synonym: 11-Oxoaerothionin
IUPAC Name: 7,9-dibromo-N-[4-[(7,9-dibromo-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carbonyl)amino]-3-oxobutyl]-6-hydroxy-8-methoxy-1-oxa-2-azaspiro[4.5]deca-2,7,9-triene-3-carboxamide
Structure
SMILES: COC1=C(Br)C(O)C2(C=C1Br)CC(C(=O)NCCC(=O)CNC(=O)C1=NOC3(C=C(Br)C(OC)=C(Br)C3O)C1)=NO2
InChI: InChI=1S/C24H24Br4N4O9/c1-38-17-11(25)5-23(19(34)15(17)27)7-13(31-40-23)21(36)29-4-3-10(33)9-30-22(37)14-8-24(41-32-14)6-12(26)18(39-2)16(28)20(24)35/h5-6,19-20,34-35H,3-4,7-9H2,1-2H3,(H,29,36)(H,30,37)
InChIKey: LPBNXOLVSVGFDX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | None | Tricladida | Rhabditophora | Platyhelminthes | Metazoa | Eukaryota |
| Aplysina lacunosa | Aplysina | Aplysinidae | Verongiida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 832.0910000000002
TPSA？: 177.36999999999998
MolLogP？: 2.0206
Number of H-Donors: 4
Number of H-Acceptors: 11
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|