Gliotoxin G
AlkaPlorer ID: AK091618
Synonym: None
IUPAC Name: (1R,7S,8S,11R)-7-hydroxy-11-(hydroxymethyl)-17-methyl-12,13,14,15-tetrathia-9,17-diazatetracyclo[9.4.2.01,9.03,8]heptadeca-3,5-diene-10,16-dione
Structure
SMILES: CN1C(=O)[C@]23CC4=CC=C[C@H](O)[C@H]4N2C(=O)[C@@]1(CO)SSSS3
InChI: InChI=1S/C13H14N2O4S4/c1-14-10(18)12-5-7-3-2-4-8(17)9(7)15(12)11(19)13(14,6-16)21-23-22-20-12/h2-4,8-9,16-17H,5-6H2,1H3/t8-,9-,12+,13+/m0/s1
InChIKey: TZBWGHOEGGDHNR-RBJBARPLSA-N
Reference
PubChem CID: 3007092
LOTUS: LTS0247780
SuperNatural Ⅲ: SN0363986-03
NPASS: NPC66007
{NPAtlas: NPA012391
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Penicillium sp. | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 390.533
TPSA？: 81.08000000000001
MolLogP？: 0.9927000000000004
Number of H-Donors: 2
Number of H-Acceptors: 8
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | IC50 | 2100.0 | nM | 10.1021/np200740e |
| Homo sapiens | Histone-lysine N-methyltransferase SETD7 | Inhibition | nan | % | 10.1021/np200740e |
| Mus musculus | P388 | IC50 | 20.0 | nM | 10.1021/np200740e |