4,7,7,11-Tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol

Details

• Internal ID: 1b954232-4a0f-42c7-8522-bdf27e790f0f
• Taxonomy: Organoheterocyclic compounds > Tetrahydrofurans
• IUPAC Name: 4,7,7,11-tetramethyl-6-oxatricyclo[6.3.0.01,5]undecan-5-ol
• SMILES (Canonical): CC1CCC2C13CCC(C3(OC2(C)C)O)C
• SMILES (Isomeric): CC1CCC2C13CCC(C3(OC2(C)C)O)C
• InChI: InChI=1S/C14H24O2/c1-9-5-6-11-12(3,4)16-14(15)10(2)7-8-13(9,11)14/h9-11,15H,5-8H2,1-4H3
• InChI Key: GRRIYLFQXHZWQR-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.34 g/mol
• Exact Mass: 224.177630004 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 2.90

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
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.71%	97.25%
CHEMBL218	P21554	Cannabinoid CB1 receptor	89.10%	96.61%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.98%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.95%	96.09%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.05%	97.09%
CHEMBL4681	P42330	Aldo-keto-reductase family 1 member C3	82.92%	89.05%
CHEMBL206	P03372	Estrogen receptor alpha	82.73%	97.64%
CHEMBL241	Q14432	Phosphodiesterase 3A	81.24%	92.94%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.51%	100.00%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	80.36%	82.69%

Plants that contains it

• Cupressus bakeri

Cross-Links

• PubChem: 163004115
• LOTUS: LTS0176951
• wikiData: Q105016371