7-[[(1R,2R,6R)-2-(3-hydroxypropyl)-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-6,8-dimethoxychromen-2-one

Details

• Internal ID: 22962391-f349-483f-9d57-7c645693debe
• Taxonomy: Lipids and lipid-like molecules > Prenol lipids > Terpene lactones
• IUPAC Name: 7-[[(1R,2R,6R)-2-(3-hydroxypropyl)-1,6-dimethyl-3-propan-2-ylidenecyclohexyl]methoxy]-6,8-dimethoxychromen-2-one
• InChI: InChI=1S/C26H36O6/c1-16(2)19-11-9-17(3)26(4,20(19)8-7-13-27)15-31-24-21(29-5)14-18-10-12-22(28)32-23(18)25(24)30-6/h10,12,14,17,20,27H,7-9,11,13,15H2,1-6H3/t17-,20-,26-/m1/s1
• InChI Key: WXHHBGCLCGHPLX-AGTLBBOYSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₆O₆
• Molecular Weight: 444.60 g/mol
• Exact Mass: 444.25118886 g/mol
• Topological Polar Surface Area (TPSA): 74.20 Ų
• XlogP: 5.30

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	99.16%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	94.79%	94.00%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.38%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	90.69%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.58%	99.17%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	88.55%	85.49%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.98%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	87.72%	95.56%
CHEMBL241	Q14432	Phosphodiesterase 3A	87.59%	92.94%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	86.39%	92.62%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	85.06%	99.23%
CHEMBL2581	P07339	Cathepsin D	84.45%	98.95%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	83.11%	95.83%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	83.11%	94.03%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	81.38%	86.92%
CHEMBL4940	P07195	L-lactate dehydrogenase B chain	80.82%	95.53%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.61%	96.95%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.17%	97.33%
CHEMBL1937	Q92769	Histone deacetylase 2	80.04%	94.75%

Plants that contains it

• Achillea ochroleuca

Cross-Links

• PubChem: 163032615
• LOTUS: LTS0076950
• wikiData: Q105314626