Agrocybenine
AlkaPlorer ID: AK066678
Synonym: 1,2,3,5-Tetrahydro-2,2,5,5,7-pentamethyl-6H-pyrrolo[2,3-b]pyridin-6-one
IUPAC Name: 2,2,5,5,7-pentamethyl-1,3-dihydropyrrolo[3,2-b]pyridin-6-one
Structure
SMILES: CC1=C2NC(C)(C)CC2=NC(C)(C)C1=O
InChI: InChI=1S/C12H18N2O/c1-7-9-8(6-11(2,3)14-9)13-12(4,5)10(7)15/h14H,6H2,1-5H3
InChIKey: OTBGQBSPIWKINO-UHFFFAOYSA-N
Reference
Agrocybenine, novel class alkaloid from the Korean mushroom Agrocybe cylindracea
PubChem CID: 23278458
CAS: 178764-92-6
LOTUS: LTS0111525
SuperNatural Ⅲ: SN0274541
NPASS: NPC225256
COCONUT: CNP0254129
{NPAtlas: NPA005150
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Agrocybe cylindracea | Agrocybe | Strophariaceae | Agaricales | Agaricomycetes | Basidiomycota | Fungi | Eukaryota |
| Nigella glandulifera | Nigella | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 206.289
TPSA？: 41.46
MolLogP？: 1.8346
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Menin | Inhibition | 50.0 | % | 10.1021/acs.jnatprod.8b00239 |