Campesenin

Details

• Internal ID: bae8564b-c0ee-4e08-adab-5c151283c282
• Taxonomy: Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides
• IUPAC Name: 2-(2-hydroxypropan-2-yl)-9-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrofuro[3,2-g]chromen-7-one
• SMILES (Canonical): CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O)O
• SMILES (Isomeric): CC(C)(C1CC2=C(O1)C(=C3C(=C2)C=CC(=O)O3)OC4C(C(C(C(O4)CO)O)O)O)O
• InChI: InChI=1S/C20H24O10/c1-20(2,26)11-6-9-5-8-3-4-12(22)29-16(8)18(17(9)28-11)30-19-15(25)14(24)13(23)10(7-21)27-19/h3-5,10-11,13-15,19,21,23-26H,6-7H2,1-2H3
• InChI Key: JWWFVRMFYKPZNE-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₄O₁₀
• Molecular Weight: 424.40 g/mol
• Exact Mass: 424.13694696 g/mol
• Topological Polar Surface Area (TPSA): 155.00 Ų
• XlogP: -0.20

Synonyms

• Campesenin
• AKOS040753870
• HY-121770
• CS-0083269

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	98.65%	91.11%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	95.35%	94.00%
CHEMBL2581	P07339	Cathepsin D	95.34%	98.95%
CHEMBL3401	O75469	Pregnane X receptor	93.97%	94.73%
CHEMBL253	P34972	Cannabinoid CB2 receptor	93.96%	97.25%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.16%	95.56%
CHEMBL220	P22303	Acetylcholinesterase	88.46%	94.45%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.24%	94.45%
CHEMBL3137262	O60341	LSD1/CoREST complex	86.87%	97.09%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.41%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	86.05%	86.33%
CHEMBL1293267	Q9HC97	G-protein coupled receptor 35	83.13%	89.34%
CHEMBL5608	Q16288	NT-3 growth factor receptor	82.91%	95.89%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.70%	99.17%
CHEMBL2373	P21730	C5a anaphylatoxin chemotactic receptor	82.36%	92.62%
CHEMBL4208	P20618	Proteasome component C5	81.33%	90.00%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	80.61%	96.95%

Plants that contains it

• Ruta graveolens

Cross-Links

• PubChem: 5131188
• LOTUS: LTS0145184
• wikiData: Q105136414