2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-ol

Details

• Internal ID: 33cc3c7c-52d4-46c8-bb9f-fe24d5d3e2c9
• Taxonomy: Organoheterocyclic compounds > Oxolanes
• IUPAC Name: 2,6,6,10-tetramethyl-1-oxaspiro[4.5]dec-9-en-8-ol
• SMILES (Canonical): CC1CCC2(O1)C(=CC(CC2(C)C)O)C
• SMILES (Isomeric): CC1CCC2(O1)C(=CC(CC2(C)C)O)C
• InChI: InChI=1S/C13H22O2/c1-9-7-11(14)8-12(3,4)13(9)6-5-10(2)15-13/h7,10-11,14H,5-6,8H2,1-4H3
• InChI Key: AVMRWEITZUAUJV-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₂₂O₂
• Molecular Weight: 210.31 g/mol
• Exact Mass: 210.161979940 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 1.90

Synonyms

• 116296-78-7
• 2,6,10,10-Tetramethyl-1-oxaspiro[4.5]dec-6-en-8-ol
• DTXSID90766502
• AVMRWEITZUAUJV-UHFFFAOYSA-N

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	93.33%	96.09%
CHEMBL4803	P29474	Nitric-oxide synthase, endothelial	90.29%	86.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	87.91%	97.09%
CHEMBL1994	P08235	Mineralocorticoid receptor	85.37%	100.00%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	85.17%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.99%	95.56%
CHEMBL253	P34972	Cannabinoid CB2 receptor	83.72%	97.25%
CHEMBL4072	P07858	Cathepsin B	82.23%	93.67%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.14%	95.89%
CHEMBL1871	P10275	Androgen Receptor	81.00%	96.43%

Plants that contains it

• Vitis vinifera

Cross-Links

• PubChem: 71339001
• LOTUS: LTS0245670
• wikiData: Q105331222