Glionitrin A
AlkaPlorer ID: AK318510
Synonym: None
IUPAC Name: (1S,11S)-11-(hydroxymethyl)-15-methyl-6-nitro-12,13-dithia-9,15-diazatetracyclo[9.2.2.01,9.03,8]pentadeca-3(8),4,6-triene-10,14-dione
Structure
SMILES: CN1C(=O)[C@@]23CC4=CC=C([N+](=O)[O-])C=C4N2C(=O)[C@]1(CO)SS3
InChI: InChI=1S/C13H11N3O5S2/c1-14-10(18)12-5-7-2-3-8(16(20)21)4-9(7)15(12)11(19)13(14,6-17)23-22-12/h2-4,17H,5-6H2,1H3/t12-,13-/m0/s1
InChIKey: VRFJINVAZRAFHH-STQMWFEESA-N
Reference
PubChem CID: 25243252
LOTUS: LTS0025626
SuperNatural Ⅲ: SN0397943-01
NPASS: NPC134648
{NPAtlas: NPA005355
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: 353.38100000000003
TPSA？: 103.99
MolLogP？: 0.7357999999999996
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|