Tanikolide

Details

• Internal ID: 04e6adf0-2ba4-4e6b-ad74-366745ed07d7
• Taxonomy: Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
• IUPAC Name: (6R)-6-(hydroxymethyl)-6-undecyloxan-2-one
• InChI: InChI=1S/C17H32O3/c1-2-3-4-5-6-7-8-9-10-13-17(15-18)14-11-12-16(19)20-17/h18H,2-15H2,1H3/t17-/m1/s1
• InChI Key: NLAYXWYCDWDTBF-QGZVFWFLSA-N
• Popularity: 25 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₃₂O₃
• Molecular Weight: 284.40 g/mol
• Exact Mass: 284.23514488 g/mol
• Topological Polar Surface Area (TPSA): 46.50 Ų
• XlogP: 5.30

Synonyms

• (+)-Tanikolide
• (6R)-6-(hydroxymethyl)-6-undecyloxan-2-one
• CHEMBL479498
• SCHEMBL9902905
• DTXSID401037008
• 248278-40-2

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL4462	Q8IXJ6	NAD-dependent deacetylase sirtuin 2	176 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL299	P17252	Protein kinase C alpha	98.99%	98.03%
CHEMBL2581	P07339	Cathepsin D	97.80%	98.95%
CHEMBL230	P35354	Cyclooxygenase-2	93.51%	89.63%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.93%	91.11%
CHEMBL2996	Q05655	Protein kinase C delta	92.59%	97.79%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.93%	96.09%
CHEMBL5043	Q6P179	Endoplasmic reticulum aminopeptidase 2	87.80%	91.81%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.23%	95.56%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	86.89%	100.00%
CHEMBL1977	P11473	Vitamin D receptor	83.35%	99.43%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.93%	97.25%
CHEMBL3192	Q9BY41	Histone deacetylase 8	80.72%	93.99%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	80.71%	92.86%
CHEMBL5103	Q969S8	Histone deacetylase 10	80.51%	90.08%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 5276592
• LOTUS: LTS0133268
• wikiData: Q105181249