1-[(1S,2R,9S,11R,13R,17R)-11-methyl-6,14-diazapentacyclo[7.6.2.02,7.02,13.013,17]heptadec-7-en-6-yl]ethanone

Details

• Internal ID: 29b0bf4d-e6ef-4b86-966a-0fab98908f21
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 1-[(1S,2R,9S,11R,13R,17R)-11-methyl-6,14-diazapentacyclo[7.6.2.02,7.02,13.013,17]heptadec-7-en-6-yl]ethanone
• InChI: InChI=1S/C18H26N2O/c1-11-6-13-7-16-17(4-3-5-20(16)12(2)21)14-8-15(13)18(17,9-11)19-10-14/h7,11,13-15,19H,3-6,8-10H2,1-2H3/t11-,13+,14-,15-,17+,18-/m1/s1
• InChI Key: BZLAGQZVEKTYQG-XKTOCJGBSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₆N₂O
• Molecular Weight: 286.40 g/mol
• Exact Mass: 286.204513457 g/mol
• Topological Polar Surface Area (TPSA): 32.30 Ų
• XlogP: 1.90

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	99.39%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	97.33%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.59%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.89%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	88.39%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.94%	95.56%
CHEMBL2581	P07339	Cathepsin D	84.89%	98.95%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.39%	86.33%
CHEMBL4208	P20618	Proteasome component C5	84.30%	90.00%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.77%	93.04%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	80.64%	90.71%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.55%	100.00%

Plants that contains it

• Austrolycopodium fastigiatum

Cross-Links

• PubChem: 163103620
• LOTUS: LTS0192789
• wikiData: Q104950525