5-Methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene-1,3-diol

Details

• Internal ID: 7912e944-5010-4863-a516-ec64ad80d8d4
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
• IUPAC Name: 5-methyl-2-(3-methyl-6-prop-1-en-2-ylcyclohex-2-en-1-yl)benzene-1,3-diol
• InChI: InChI=1S/C17H22O2/c1-10(2)13-6-5-11(3)7-14(13)17-15(18)8-12(4)9-16(17)19/h7-9,13-14,18-19H,1,5-6H2,2-4H3
• InChI Key: GKVOVXWEBSQJPA-UHFFFAOYSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₂₂O₂
• Molecular Weight: 258.35 g/mol
• Exact Mass: 258.161979940 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 4.50

Synonyms

• 35482-50-9
• SCHEMBL14578515

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	96.95%	91.11%
CHEMBL241	Q14432	Phosphodiesterase 3A	93.73%	92.94%
CHEMBL1951	P21397	Monoamine oxidase A	91.48%	91.49%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.35%	96.09%
CHEMBL2581	P07339	Cathepsin D	88.99%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.88%	95.56%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	82.32%	93.40%
CHEMBL1994	P08235	Mineralocorticoid receptor	82.31%	100.00%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.16%	89.00%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	81.70%	91.79%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	80.50%	93.03%

Plants that contains it

• Cannabis sativa

Cross-Links

• PubChem: 20586765
• LOTUS: LTS0136459
• wikiData: Q104249313