2-methoxylcordyol C

Details

• Internal ID: 0ec40c9a-a356-4d6a-b68b-7cbe44b4d17b
• Taxonomy: Benzenoids > Benzene and substituted derivatives > Diphenylethers
• IUPAC Name: 3-(3-hydroxy-5-methylphenoxy)-2-methoxy-5-methylphenol
• SMILES (Canonical): CC1=CC(=CC(=C1)OC2=CC(=CC(=C2OC)O)C)O
• SMILES (Isomeric): CC1=CC(=CC(=C1)OC2=CC(=CC(=C2OC)O)C)O
• InChI: InChI=1S/C15H16O4/c1-9-4-11(16)8-12(5-9)19-14-7-10(2)6-13(17)15(14)18-3/h4-8,16-17H,1-3H3
• InChI Key: KPIPKUMFYNJSQN-UHFFFAOYSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₆O₄
• Molecular Weight: 260.28 g/mol
• Exact Mass: 260.10485899 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 3.40

Synonyms

• 3-(3-hydroxy-5-methylphenoxy)-2-methoxy-5-methylphenol
• RefChem:87931
• CHEBI:204501

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	93.89%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.60%	95.56%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.93%	99.15%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.68%	96.09%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.00%	94.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	86.83%	92.68%
CHEMBL3194	P02766	Transthyretin	86.00%	90.71%
CHEMBL3060	Q9Y345	Glycine transporter 2	85.51%	99.17%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	85.31%	93.65%
CHEMBL2535	P11166	Glucose transporter	84.10%	98.75%
CHEMBL4208	P20618	Proteasome component C5	82.68%	90.00%
CHEMBL1966	Q02127	Dihydroorotate dehydrogenase	80.93%	96.09%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139585221
• LOTUS: LTS0230396
• wikiData: Q77386245