Pranchimgin

Details

• Internal ID: b8fe6f67-4b82-42c0-be84-c77ee2661f10
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Furanocoumarins > Psoralens
• IUPAC Name: 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 3-methylbut-2-enoate
• SMILES (Canonical): CC(=CC(=O)OC(C)(C)C1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
• SMILES (Isomeric): CC(=CC(=O)OC(C)(C)[C@@H]1CC2=C(O1)C=C3C(=C2)C=CC(=O)O3)C
• InChI: InChI=1S/C19H20O5/c1-11(2)7-18(21)24-19(3,4)16-9-13-8-12-5-6-17(20)23-14(12)10-15(13)22-16/h5-8,10,16H,9H2,1-4H3/t16-/m0/s1
• InChI Key: PQCLZBCFLJVBGA-INIZCTEOSA-N
• Popularity: 35 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₅
• Molecular Weight: 328.40 g/mol
• Exact Mass: 328.13107373 g/mol
• Topological Polar Surface Area (TPSA): 61.80 Ų
• XlogP: 3.90

Synonyms

• 13209-79-5
• Pranchimgin
• Pranchimgine
• Prantschimgin
• 2-[(2S)-7-oxo-2,3-dihydrofuro[3,2-g]chromen-2-yl]propan-2-yl 3-methylbut-2-enoate
• CHEMBL2402007
• BDBM50492399

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	96.82%	91.11%
CHEMBL2581	P07339	Cathepsin D	95.70%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	92.84%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	91.77%	97.25%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.40%	94.45%
CHEMBL1806	P11388	DNA topoisomerase II alpha	88.14%	89.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.69%	86.33%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.46%	96.09%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.30%	95.56%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	83.86%	94.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.35%	99.17%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	82.48%	89.34%
CHEMBL3038477	P67870	Casein kinase II alpha/beta	82.40%	99.23%
CHEMBL5608	Q16288	NT-3 growth factor receptor	81.72%	95.89%
CHEMBL5845	P23415	Glycine receptor subunit alpha-1	81.28%	90.71%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	81.26%	96.95%
CHEMBL1994	P08235	Mineralocorticoid receptor	80.27%	100.00%

Plants that contains it

• Cachrys sicula
• Ferulago brachyloba
• Ferulago lutea
• Ferulago sylvatica
• Prangos trifida

Cross-Links

• PubChem: 908164
• LOTUS: LTS0041257
• wikiData: Q105213163