Oxichaetoglobosin C/D
AlkaPlorer ID: AK115470
Synonym: None
IUPAC Name: (1R,5S,7E,9S,11E,13R,14S,16S,17R,18R)-5,14-dihydroxy-18-[1H-indol-3-yl(methoxy)methyl]-7,9,16-trimethyl-15-methylidene-19-azatricyclo[11.7.0.01,17]icosa-7,11-diene-2,6,20-trione
Structure
SMILES: C=C1[C@@H](C)[C@H]2[C@H](C(OC)C3=CNC4=CC=CC=C34)NC(=O)[C@]23C(=O)CC[C@H](O)C(=O)/C(C)=C/[C@@H](C)C/C=C/[C@H]3[C@@H]1O
InChI: InChI=1S/C33H40N2O6/c1-17-9-8-11-23-30(39)20(4)19(3)27-28(31(41-5)22-16-34-24-12-7-6-10-21(22)24)35-32(40)33(23,27)26(37)14-13-25(36)29(38)18(2)15-17/h6-8,10-12,15-17,19,23,25,27-28,30-31,34,36,39H,4,9,13-14H2,1-3,5H3,(H,35,40)/b11-8+,18-15+/t17-,19+,23-,25-,27-,28+,30+,31?,33+/m0/s1
InChIKey: LUBLLQPGGMSOSR-BELSMZPMSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavipes | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 560.6910000000005
TPSA？: 128.72
MolLogP？: 3.9610000000000034
Number of H-Donors: 4
Number of H-Acceptors: 6
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus | Bacillus | Activity | nan | None | 10.1021/acs.jnatprod.8b00110 |
| Homo sapiens | MCF7 | IC50 | 20700.0 | nM | 10.1021/acs.jnatprod.8b00110 |
| Mus musculus | B-cell line | Inhibition | nan | % | 10.1021/acs.jnatprod.8b00110 |
| Mus musculus | Murine T-cell line | Inhibition | nan | % | 10.1021/acs.jnatprod.8b00110 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/acs.jnatprod.8b00110 |