8-Hydroxy-1,7-epoxy-2-menthene

Details

• Internal ID: 73b125f7-dc49-4fb4-a72a-75aeb21befd4
• Taxonomy: Organoheterocyclic compounds > Oxetanes
• IUPAC Name: [(1S,6R,8R)-4,8-dimethyl-7-oxabicyclo[4.2.0]oct-4-en-8-yl]methanol
• SMILES (Canonical): CC1=CC2C(CC1)C(O2)(C)CO
• SMILES (Isomeric): CC1=C[C@@H]2[C@H](CC1)[C@](O2)(C)CO
• InChI: InChI=1S/C10H16O2/c1-7-3-4-8-9(5-7)12-10(8,2)6-11/h5,8-9,11H,3-4,6H2,1-2H3/t8-,9+,10-/m0/s1
• InChI Key: ISXRVQJXJYHLGT-AEJSXWLSSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₆O₂
• Molecular Weight: 168.23 g/mol
• Exact Mass: 168.115029749 g/mol
• Topological Polar Surface Area (TPSA): 29.50 Ų
• XlogP: 0.70

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	95.34%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.57%	96.09%
CHEMBL253	P34972	Cannabinoid CB2 receptor	90.48%	97.25%
CHEMBL1994	P08235	Mineralocorticoid receptor	88.03%	100.00%
CHEMBL3137262	O60341	LSD1/CoREST complex	85.54%	97.09%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.97%	95.89%
CHEMBL2996	Q05655	Protein kinase C delta	82.90%	97.79%
CHEMBL230	P35354	Cyclooxygenase-2	82.12%	89.63%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.26%	95.56%
CHEMBL1293249	Q13887	Kruppel-like factor 5	81.11%	86.33%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.35%	92.94%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139591327
• LOTUS: LTS0080248
• wikiData: Q105119891