6-acetylmonodethiogliotoxin
AlkaPlorer ID: AK014431
Synonym: None
IUPAC Name: [(1S,7S,8S,11S)-11-(hydroxymethyl)-12-methyl-10,13-dioxo-14-thia-9,12-diazatetracyclo[9.2.1.01,9.03,8]tetradeca-3,5-dien-7-yl] acetate
Structure
SMILES: CC(=O)O[C@H]1C=CC=C2C[C@@]34S[C@@](CO)(C(=O)N3[C@@H]21)N(C)C4=O
InChI: InChI=1S/C15H16N2O5S/c1-8(19)22-10-5-3-4-9-6-14-12(20)16(2)15(7-18,23-14)13(21)17(14)11(9)10/h3-5,10-11,18H,6-7H2,1-2H3/t10-,11-,14-,15-/m0/s1
InChIKey: QTPKPCAJWYFVSQ-GVARAGBVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Dichotomomyces | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 336.369
TPSA？: 87.15
MolLogP？: -0.3811000000000002
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|