(1R,2R,4S)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol

Details

• Internal ID: 68903ac5-cec4-4dc5-ba49-bd2796119570
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
• IUPAC Name: (1R,2R,4S)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,3,4-tetrahydronaphthalene-2,7-diol
• InChI: InChI=1S/C15H20O2/c1-8(2)11-6-15(17)10(4)12-7-14(16)9(3)5-13(11)12/h5,7,10-11,15-17H,1,6H2,2-4H3/t10-,11+,15-/m1/s1
• InChI Key: OOQATJJYWGXKAO-JRPNMDOOSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₂₀O₂
• Molecular Weight: 232.32 g/mol
• Exact Mass: 232.146329876 g/mol
• Topological Polar Surface Area (TPSA): 40.50 Ų
• XlogP: 3.50

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	98.49%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	96.33%	91.49%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	92.94%	85.14%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.65%	96.09%
CHEMBL2581	P07339	Cathepsin D	87.37%	98.95%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	83.69%	93.40%
CHEMBL1806	P11388	DNA topoisomerase II alpha	82.86%	89.00%
CHEMBL241	Q14432	Phosphodiesterase 3A	82.23%	92.94%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	81.20%	95.56%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	80.69%	91.79%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.38%	100.00%

Plants that contains it

• Kadsura longepedunculata

Cross-Links

• PubChem: 25098693
• LOTUS: LTS0127062
• wikiData: Q105195537