7-Hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde

Details

• Internal ID: 3ccfa807-53e8-4310-8a45-d9be2160c236
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Bicyclic monoterpenoids
• IUPAC Name: 7-hydroxy-6,6-dimethylbicyclo[3.1.1]hept-2-ene-2-carbaldehyde
• InChI: InChI=1S/C10H14O2/c1-10(2)7-4-3-6(5-11)8(10)9(7)12/h3,5,7-9,12H,4H2,1-2H3
• InChI Key: GOQNKTANMSZXTF-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₄O₂
• Molecular Weight: 166.22 g/mol
• Exact Mass: 166.099379685 g/mol
• Topological Polar Surface Area (TPSA): 37.30 Ų
• XlogP: 1.00

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	95.16%	96.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	91.39%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.76%	95.56%
CHEMBL1994	P08235	Mineralocorticoid receptor	86.65%	100.00%
CHEMBL2581	P07339	Cathepsin D	84.27%	98.95%
CHEMBL4208	P20618	Proteasome component C5	80.33%	90.00%
CHEMBL253	P34972	Cannabinoid CB2 receptor	80.14%	97.25%

Plants that contains it

• Artemisia suksdorfii

Cross-Links

• PubChem: 101417762
• LOTUS: LTS0059821
• wikiData: Q105014405