(1R,2S,5S,8S)-2,4,4,8-tetramethyltricyclo[6.3.1.02,5]dodecane-1,9-diol

Details

• Internal ID: b5359926-0bcc-41f0-8069-d4e2ae2b337d
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Tertiary alcohols
• IUPAC Name: (1R,2S,5S,8S)-2,4,4,8-tetramethyltricyclo[6.3.1.02,5]dodecane-1,9-diol
• InChI: InChI=1S/C16H28O2/c1-13(2)9-15(4)11(13)5-7-14(3)10-16(15,18)8-6-12(14)17/h11-12,17-18H,5-10H2,1-4H3/t11-,12?,14-,15-,16+/m0/s1
• InChI Key: USZIFKZVBTZOEJ-XADPZNNLSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₂₈O₂
• Molecular Weight: 252.39 g/mol
• Exact Mass: 252.208930132 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.20

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	91.38%	96.09%
CHEMBL241	Q14432	Phosphodiesterase 3A	91.13%	92.94%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.84%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.99%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.41%	100.00%
CHEMBL6136	O60341	Lysine-specific histone demethylase 1	84.26%	95.58%
CHEMBL1907601	P11802	Cyclin-dependent kinase 4/cyclin D1	80.67%	98.99%
CHEMBL259	P32245	Melanocortin receptor 4	80.36%	95.38%
CHEMBL5608	Q16288	NT-3 growth factor receptor	80.28%	95.89%

Plants that contains it

• Heterotheca inuloides

Cross-Links

• PubChem: 163190843
• LOTUS: LTS0134688
• wikiData: Q103813393