6-Hydroxy-7-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-1-one

Details

• Internal ID: bac07ece-db7d-43af-8ebc-3306f962f10e
• Taxonomy: Organic acids and derivatives > Carboximidic acids and derivatives > Carboximidic acids > Cyclic carboximidic acids
• IUPAC Name: 6-hydroxy-7-methyl-2,4a,5,6,7,7a-hexahydrocyclopenta[c]pyridin-1-one
• SMILES (Canonical): CC1C(CC2C1C(=O)NC=C2)O
• SMILES (Isomeric): CC1C(CC2C1C(=O)NC=C2)O
• InChI: InChI=1S/C9H13NO2/c1-5-7(11)4-6-2-3-10-9(12)8(5)6/h2-3,5-8,11H,4H2,1H3,(H,10,12)
• InChI Key: VQHOTRSZSLKCSJ-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₉H₁₃NO₂
• Molecular Weight: 167.20 g/mol
• Exact Mass: 167.094628657 g/mol
• Topological Polar Surface Area (TPSA): 49.30 Ų
• XlogP: 0.10

Synonyms

There are no found synonyms.

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	90.07%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.69%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.22%	95.56%
CHEMBL2581	P07339	Cathepsin D	87.85%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.72%	91.11%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	82.88%	94.45%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.14%	99.23%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.85%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.41%	89.00%

Plants that contains it

• Strychnos variabilis

Cross-Links

• PubChem: 130020000
• LOTUS: LTS0194376
• wikiData: Q105291252