Tupichinol A

Details

• Internal ID: 94dc3732-b544-40cd-aee1-486066343d31
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids
• IUPAC Name: (2R,3R)-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
• InChI: InChI=1S/C17H18O4/c1-10-15(20-2)8-5-12-9-14(19)17(21-16(10)12)11-3-6-13(18)7-4-11/h3-8,14,17-19H,9H2,1-2H3/t14-,17-/m1/s1
• InChI Key: PSCVPMJLJOIQKC-RHSMWYFYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₇H₁₈O₄
• Molecular Weight: 286.32 g/mol
• Exact Mass: 286.12050905 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 2.80

Synonyms

• 497142-88-8
• (2R,3R)-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
• (2R,3R)-2-(4-Hydroxyphenyl)-7-methoxy-8-methylchroman-3-ol
• starbld0001757
• CHEMBL464202
• CHEBI:185008
• DTXSID101043589
• LMPK12020006
• AKOS040762460
• Q44167222

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	95.76%	96.09%
CHEMBL1951	P21397	Monoamine oxidase A	93.20%	91.49%
CHEMBL3137262	O60341	LSD1/CoREST complex	90.61%	97.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.80%	95.56%
CHEMBL5608	Q16288	NT-3 growth factor receptor	88.79%	95.89%
CHEMBL1293249	Q13887	Kruppel-like factor 5	87.30%	86.33%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	87.27%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	87.25%	94.00%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	86.41%	95.89%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	84.79%	85.14%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	84.50%	91.79%
CHEMBL5339	Q5NUL3	G-protein coupled receptor 120	83.60%	95.78%
CHEMBL242	Q92731	Estrogen receptor beta	83.31%	98.35%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	83.17%	97.14%
CHEMBL2095226	P05556	Integrin alpha-5/beta-1	83.13%	96.39%
CHEMBL2581	P07339	Cathepsin D	82.74%	98.95%
CHEMBL4306	P22460	Voltage-gated potassium channel subunit Kv1.5	81.61%	94.03%
CHEMBL3060	Q9Y345	Glycine transporter 2	80.77%	99.17%
CHEMBL3438	Q05513	Protein kinase C zeta	80.41%	88.48%
CHEMBL2535	P11166	Glucose transporter	80.20%	98.75%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 637885
• LOTUS: LTS0046697
• wikiData: Q44167222