(1R,5Z,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one

Details

• Internal ID: d3f9803f-d402-4b0b-bd68-cde04bbf5f25
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Ketones
• IUPAC Name: (1R,5Z,10S)-1,5,8,8-tetramethylbicyclo[8.1.0]undec-5-en-2-one
• SMILES (Canonical): CC1=CCC(CC2CC2(C(=O)CC1)C)(C)C
• SMILES (Isomeric): C/C/1=C/CC(C[C@H]2C[C@]2(C(=O)CC1)C)(C)C
• InChI: InChI=1S/C15H24O/c1-11-5-6-13(16)15(4)10-12(15)9-14(2,3)8-7-11/h7,12H,5-6,8-10H2,1-4H3/b11-7-/t12-,15+/m0/s1
• InChI Key: JKPHAPPVNYODTG-YVNUBKRQSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₄O
• Molecular Weight: 220.35 g/mol
• Exact Mass: 220.182715385 g/mol
• Topological Polar Surface Area (TPSA): 17.10 Ų
• XlogP: 3.50

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
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	90.39%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	88.31%	97.25%
CHEMBL2581	P07339	Cathepsin D	88.13%	98.95%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.56%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	87.43%	96.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	83.69%	100.00%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	81.82%	99.23%
CHEMBL1937	Q92769	Histone deacetylase 2	81.41%	94.75%
CHEMBL3137262	O60341	LSD1/CoREST complex	81.16%	97.09%

Plants that contains it

• Plagiochila sciophila

Cross-Links

• PubChem: 163052664
• LOTUS: LTS0227134
• wikiData: Q105130405