(1S,2R,5R,7R,9R)-2,6,6,9-tetramethyltricyclo[5.3.1.01,5]undecan-9-ol

Details

• Internal ID: 69c057dd-b48f-4022-b7d5-670f0287cf4b
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: (1S,2R,5R,7R,9R)-2,6,6,9-tetramethyltricyclo[5.3.1.01,5]undecan-9-ol
• SMILES (Canonical): CC1CCC2C13CC(C2(C)C)CC(C3)(C)O
• SMILES (Isomeric): C[C@@H]1CC[C@H]2[C@]13C[C@@H](C2(C)C)C[C@@](C3)(C)O
• InChI: InChI=1S/C15H26O/c1-10-5-6-12-13(2,3)11-7-14(4,16)9-15(10,12)8-11/h10-12,16H,5-9H2,1-4H3/t10-,11+,12-,14-,15+/m1/s1
• InChI Key: PCROEXHGMUJCDB-OGMFBOKVSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₆O
• Molecular Weight: 222.37 g/mol
• Exact Mass: 222.198365449 g/mol
• Topological Polar Surface Area (TPSA): 20.20 Ų
• XlogP: 4.10

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	90.69%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.35%	97.25%
CHEMBL4685	P14902	Indoleamine 2,3-dioxygenase	83.43%	96.38%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	82.76%	82.69%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.10%	92.94%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	81.46%	91.11%
CHEMBL4187	Q99250	Sodium channel protein type II alpha subunit	80.82%	95.50%
CHEMBL3137262	O60341	LSD1/CoREST complex	80.48%	97.09%
CHEMBL206	P03372	Estrogen receptor alpha	80.39%	97.64%
CHEMBL259	P32245	Melanocortin receptor 4	80.11%	95.38%

Plants that contains it

• Juniperus cedrus

Cross-Links

• PubChem: 162901819
• LOTUS: LTS0151824
• wikiData: Q105205942