Bisdethiobis(methylthio)gliotoxin; 3-De(methylthio), 5a,6-didehydro
AlkaPlorer ID: AK290714
Synonym: Bisdethio(methylthio)dehydrogliotoxin, Colletopiperazine
IUPAC Name: None
Structure
SMILES: CSC12CC3=CC=CC(O)=C3N1C(=O)C(CO)N(C)C2=O
InChI: InChI=1S/C14H16N2O4S/c1-15-9(7-17)12(19)16-11-8(4-3-5-10(11)18)6-14(16,21-2)13(15)20/h3-5,9,17-18H,6-7H2,1-2H3
InChIKey: KJUPQTSRDRJKPM-UHFFFAOYSA-N
Reference
CAS: 1242414-11-4
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Colletotrichum gloeosporioides | Colletotrichum | Glomerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 308.35900000000004
TPSA？: 81.07999999999998
MolLogP？: 0.1735000000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|