Oxichaetoglobosin G/H
AlkaPlorer ID: AK115481
Synonym: None
IUPAC Name: (1S,2S,3R,4E,7S,8E,11S,15S,18R,19R,20S)-18-(1a,2-dihydrooxireno[2,3-b]indol-6b-ylmethyl)-2,11-dihydroxy-1,7,9,20-tetramethyl-21-oxa-17-azatetracyclo[16.2.1.03,15.015,19]henicosa-4,8-diene-10,14,16-trione
Structure
SMILES: C/C1=C\[C@@H](C)C/C=C/[C@H]2[C@H](O)[C@@]3(C)O[C@@]4(CC56OC5NC5=CC=CC=C56)NC(=O)[C@]2(C(=O)CC[C@H](O)C1=O)[C@H]4[C@@H]3C
InChI: InChI=1S/C32H38N2O7/c1-16-8-7-10-20-26(38)29(4)18(3)25-31(41-29,15-30-19-9-5-6-11-21(19)33-28(30)40-30)34-27(39)32(20,25)23(36)13-12-22(35)24(37)17(2)14-16/h5-7,9-11,14,16,18,20,22,25-26,28,33,35,38H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,17-14+/t16-,18-,20-,22-,25-,26-,28?,29-,30?,31+,32+/m0/s1
InChIKey: XPYAEYJWLCNUKD-SZJBUIQVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus flavipes | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 562.6630000000002
TPSA？: 137.49
MolLogP？: 2.7198
Number of H-Donors: 4
Number of H-Acceptors: 8
RingCount: 7
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 | 27900.0 | nM | 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 |