(2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-ol

Details

• Internal ID: 8dd99517-e599-4255-8ff5-b28ac0192588
• Taxonomy: Organoheterocyclic compounds > Benzodioxoles
• IUPAC Name: (2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)propan-2-ol
• InChI: InChI=1S/C11H14O4/c1-7(12)3-8-4-9(13-2)11-10(5-8)14-6-15-11/h4-5,7,12H,3,6H2,1-2H3/t7-/m1/s1
• InChI Key: USHCPOSTWLUKJO-SSDOTTSWSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₁H₁₄O₄
• Molecular Weight: 210.23 g/mol
• Exact Mass: 210.08920892 g/mol
• Topological Polar Surface Area (TPSA): 47.90 Ų
• XlogP: 1.90

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	98.21%	96.09%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	97.07%	85.14%
CHEMBL4303	P08238	Heat shock protein HSP 90-beta	95.63%	96.77%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.52%	94.45%
CHEMBL2581	P07339	Cathepsin D	94.58%	98.95%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	94.17%	92.62%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.15%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.31%	99.17%
CHEMBL4208	P20618	Proteasome component C5	86.63%	90.00%
CHEMBL2413	P32246	C-C chemokine receptor type 1	85.81%	89.50%
CHEMBL5608	Q16288	NT-3 growth factor receptor	83.26%	95.89%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	82.85%	95.89%
CHEMBL5311	P37023	Serine/threonine-protein kinase receptor R3	82.17%	82.67%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	82.07%	89.62%
CHEMBL2535	P11166	Glucose transporter	81.57%	98.75%
CHEMBL253	P34972	Cannabinoid CB2 receptor	81.47%	97.25%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	80.00%	97.14%

Plants that contains it

Cross-Links

• PubChem: 162929305
• LOTUS: LTS0082726
• wikiData: Q105278199