Funatrol C

Details

• Internal ID: 0af36a6e-5e62-4808-a9fc-39202e3b5603
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Cyclic ketones
• IUPAC Name: (4aS,5S,8aR)-5-(hydroxymethyl)-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydronaphthalen-2-one
• InChI: InChI=1S/C15H24O2/c1-10-5-6-12-14(2,3)13(17)7-8-15(12,4)11(10)9-16/h11-12,16H,1,5-9H2,2-4H3/t11-,12-,15+/m0/s1
• InChI Key: IEGKNJVXGXXYJC-SLEUVZQESA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O₂
• Molecular Weight: 236.35 g/mol
• Exact Mass: 236.177630004 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 2.30

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.30%	91.11%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.70%	97.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.08%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.56%	100.00%
CHEMBL4040	P28482	MAP kinase ERK2	85.10%	83.82%
CHEMBL4026	P40763	Signal transducer and activator of transcription 3	83.92%	82.69%
CHEMBL2581	P07339	Cathepsin D	83.18%	98.95%
CHEMBL1937	Q92769	Histone deacetylase 2	83.10%	94.75%
CHEMBL226	P30542	Adenosine A1 receptor	81.51%	95.93%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	81.06%	94.45%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 72192557
• LOTUS: LTS0089266
• wikiData: Q77386767