11,11-Dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carboxylic acid

Details

• Internal ID: d2911cd8-ae8d-4c02-9ec0-3a0653940653
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: 11,11-dimethyl-8-methylidenebicyclo[7.2.0]undecane-4-carboxylic acid
• SMILES (Canonical): CC1(CC2C1CCC(CCCC2=C)C(=O)O)C
• SMILES (Isomeric): CC1(CC2C1CCC(CCCC2=C)C(=O)O)C
• InChI: InChI=1S/C15H24O2/c1-10-5-4-6-11(14(16)17)7-8-13-12(10)9-15(13,2)3/h11-13H,1,4-9H2,2-3H3,(H,16,17)
• InChI Key: RKHVEZWVFYPTNH-UHFFFAOYSA-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: 3.90

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
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.63%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.04%	97.25%
CHEMBL3137262	O60341	LSD1/CoREST complex	89.03%	97.09%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.41%	95.50%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.26%	95.56%
CHEMBL221	P23219	Cyclooxygenase-1	84.72%	90.17%
CHEMBL1994	P08235	Mineralocorticoid receptor	84.63%	100.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	84.08%	92.94%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	81.71%	93.03%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.39%	96.09%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	81.24%	96.09%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	80.87%	93.04%
CHEMBL5255	O00206	Toll-like receptor 4	80.20%	92.50%

Plants that contains it

• Lychnophora salicifolia

Cross-Links

• PubChem: 162848990
• LOTUS: LTS0035725
• wikiData: Q105238437