Glionitrin B
AlkaPlorer ID: AK299274
Synonym: None
IUPAC Name: 3-(hydroxymethyl)-2-methyl-3,10a-bis(methylsulfanyl)-7-nitro-10H-pyrazino[1,2-a]indole-1,4-dione
Structure
SMILES: CSC1(CO)C(=O)N2C3=C(C=CC([N+](=O)[O-])=C3)CC2(SC)C(=O)N1C
InChI: InChI=1S/C15H17N3O5S2/c1-16-12(20)14(24-2)7-9-4-5-10(18(22)23)6-11(9)17(14)13(21)15(16,8-19)25-3/h4-6,19H,7-8H2,1-3H3
InChIKey: QPNKLYVDVCPJLD-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus fumigatus | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
| Sphingomonas sp. | Sphingomonas | Sphingomonadaceae | Sphingomonadales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 383.45100000000014
TPSA？: 103.99
MolLogP？: 1.0668
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|