(4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol

Details

• Internal ID: 6300dee0-9f8f-4b18-bb5b-4c0d12c3e930
• Taxonomy: Organoheterocyclic compounds > Piperidines
• IUPAC Name: (4R,6R,7S,7aS)-2,4,7-trimethyl-1,3,4,6,7,7a-hexahydrocyclopenta[c]pyridin-6-ol
• SMILES (Canonical): CC1CN(CC2C1=CC(C2C)O)C
• SMILES (Isomeric): C[C@H]1CN(C[C@@H]2C1=C[C@@H]([C@H]2C)O)C
• InChI: InChI=1S/C11H19NO/c1-7-5-12(3)6-10-8(2)11(13)4-9(7)10/h4,7-8,10-11,13H,5-6H2,1-3H3/t7-,8-,10-,11-/m0/s1
• InChI Key: PMOIEWXMDSFOBY-UUTMEEIUSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₉NO
• Molecular Weight: 181.27 g/mol
• Exact Mass: 181.146664230 g/mol
• Topological Polar Surface Area (TPSA): 23.50 Ų
• XlogP: 0.80

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	95.77%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.23%	97.25%
CHEMBL2581	P07339	Cathepsin D	89.04%	98.95%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	81.01%	85.14%

Plants that contains it

• Tecoma stans

Cross-Links

• PubChem: 162985984
• LOTUS: LTS0122387
• wikiData: Q105211625