Oxichaetoglobosin A/B
AlkaPlorer ID: AK115460
Synonym: None
IUPAC Name: (1R,5S,7E,9S,11E,13R,14S,16R,17S,18R,19R)-5-hydroxy-19-[hydroxy(1H-indol-3-yl)methyl]-7,9,16,17-tetramethyl-15-oxa-20-azatetracyclo[11.8.0.01,18.014,16]henicosa-7,11-diene-2,6,21-trione
Structure
SMILES: C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@@H]3O[C@]3(C)[C@@H](C)[C@H]3[C@H](C(O)C4=CNC5=CC=CC=C45)NC(=O)[C@]32C(=O)CC[C@H](O)C1=O
InChI: InChI=1S/C32H38N2O6/c1-16-8-7-10-21-29-31(4,40-29)18(3)25-26(28(38)20-15-33-22-11-6-5-9-19(20)22)34-30(39)32(21,25)24(36)13-12-23(35)27(37)17(2)14-16/h5-7,9-11,14-16,18,21,23,25-26,28-29,33,35,38H,8,12-13H2,1-4H3,(H,34,39)/b10-7+,17-14+/t16-,18-,21-,23-,25-,26+,28?,29-,31+,32+/m0/s1
InChIKey: URBMFWBRXLZNIG-AQAXDUOSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavipes | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 546.6640000000003
TPSA？: 132.02
MolLogP？: 3.547300000000001
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus | Bacillus | Activity | None | None | 10.1021/acs.jnatprod.8b00110 |
| Mus musculus | B-cell line | Inhibition | None | % | 10.1021/acs.jnatprod.8b00110 |
| Mus musculus | Murine T-cell line | Inhibition | None | % | 10.1021/acs.jnatprod.8b00110 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | None | None | 10.1021/acs.jnatprod.8b00110 |