Morusyunnansin F

Details

• Internal ID: 4825bd40-0a7e-4821-84a8-b6a1fc21e636
• Taxonomy: Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans
• IUPAC Name: 4-[(2S)-7-hydroxy-8-(3-methylbut-2-enyl)-3,4-dihydro-2H-chromen-2-yl]benzene-1,3-diol
• SMILES (Canonical): CC(=CCC1=C(C=CC2=C1OC(CC2)C3=C(C=C(C=C3)O)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=CC2=C1O[C@@H](CC2)C3=C(C=C(C=C3)O)O)O)C
• InChI: InChI=1S/C20H22O4/c1-12(2)3-7-16-17(22)9-4-13-5-10-19(24-20(13)16)15-8-6-14(21)11-18(15)23/h3-4,6,8-9,11,19,21-23H,5,7,10H2,1-2H3/t19-/m0/s1
• InChI Key: ZKQRTKHIRJLHLJ-IBGZPJMESA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₂O₄
• Molecular Weight: 326.40 g/mol
• Exact Mass: 326.15180918 g/mol
• Topological Polar Surface Area (TPSA): 69.90 Ų
• XlogP: 4.70

Synonyms

• Morusyunnansin F
• Morusyunnansins F
• BDBM50364138

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	98.69%	91.11%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	93.39%	96.09%
CHEMBL5697	Q9GZT9	Egl nine homolog 1	92.73%	93.40%
CHEMBL1951	P21397	Monoamine oxidase A	91.38%	91.49%
CHEMBL2581	P07339	Cathepsin D	91.00%	98.95%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.46%	95.89%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	88.91%	91.79%
CHEMBL1994	P08235	Mineralocorticoid receptor	87.67%	100.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.23%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.94%	95.56%
CHEMBL3192	Q9BY41	Histone deacetylase 8	86.32%	93.99%
CHEMBL226	P30542	Adenosine A1 receptor	84.83%	95.93%
CHEMBL217	P14416	Dopamine D2 receptor	84.82%	95.62%
CHEMBL1929	P47989	Xanthine dehydrogenase	84.05%	96.12%
CHEMBL3137262	O60341	LSD1/CoREST complex	84.04%	97.09%
CHEMBL3401	O75469	Pregnane X receptor	83.92%	94.73%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	83.32%	85.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	83.30%	86.33%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	81.80%	95.89%
CHEMBL241	Q14432	Phosphodiesterase 3A	80.54%	92.94%

Plants that contains it

• Morus notabilis

Cross-Links

• PubChem: 57333040
• NPASS: NPC103420
• ChEMBL: CHEMBL1951300