(3R,3aS,6E,7S,7aS)-6-(2-hydroxyethylidene)-3,3a,7,7a-tetramethyl-2,3,4,7-tetrahydro-1H-inden-5-one

Details

• Internal ID: 50ee0bbe-9a1d-4ecd-91fa-cd46e953238e
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (3R,3aS,6E,7S,7aS)-6-(2-hydroxyethylidene)-3,3a,7,7a-tetramethyl-2,3,4,7-tetrahydro-1H-inden-5-one
• InChI: InChI=1S/C15H24O2/c1-10-5-7-14(3)11(2)12(6-8-16)13(17)9-15(10,14)4/h6,10-11,16H,5,7-9H2,1-4H3/b12-6+/t10-,11-,14+,15+/m1/s1
• InChI Key: FNXJSYHJXVJVPU-CRNMJBKFSA-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: 2.90

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	91.88%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.43%	91.11%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.49%	97.25%
CHEMBL1937	Q92769	Histone deacetylase 2	89.14%	94.75%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	88.78%	95.56%
CHEMBL2581	P07339	Cathepsin D	86.65%	98.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.40%	100.00%
CHEMBL1902	P62942	FK506-binding protein 1A	86.03%	97.05%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.81%	97.09%
CHEMBL3351	Q13085	Acetyl-CoA carboxylase 1	82.75%	93.04%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 101020991
• LOTUS: LTS0082545
• wikiData: Q104998591