(4R,4aR,6R,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol

Details

• Internal ID: be07f013-7c1b-4249-9ec9-c14c1c42e33d
• Taxonomy: Organoheterocyclic compounds > Piperidines
• IUPAC Name: (4R,4aR,6R,7R,7aS)-2,4,7-trimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-6-ol
• SMILES (Canonical): CC1CN(CC2C1CC(C2C)O)C
• SMILES (Isomeric): C[C@H]1CN(C[C@H]2[C@@H]1C[C@H]([C@@H]2C)O)C
• InChI: InChI=1S/C11H21NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h7-11,13H,4-6H2,1-3H3/t7-,8+,9+,10+,11+/m0/s1
• InChI Key: MDEHQFAHARLWSP-VPJKUYQRSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₂₁NO
• Molecular Weight: 183.29 g/mol
• Exact Mass: 183.162314293 g/mol
• Topological Polar Surface Area (TPSA): 23.50 Ų
• XlogP: 1.70

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	95.82%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.54%	97.25%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	88.35%	85.14%
CHEMBL2140	P48775	Tryptophan 2,3-dioxygenase	83.98%	98.46%
CHEMBL2581	P07339	Cathepsin D	81.97%	98.95%

Plants that contains it

• Kopsia pauciflora

Cross-Links

• PubChem: 162906172
• LOTUS: LTS0123433
• wikiData: Q105161652