Phoyunbene C

Details

• Internal ID: d4cfe252-3f82-4ec3-898a-3391991c5271
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol
• SMILES (Canonical): COC1=CC(=CC(=C1)O)C=CC2=C(C(=CC=C2)O)OC
• SMILES (Isomeric): COC1=CC(=CC(=C1)O)/C=C/C2=C(C(=CC=C2)O)OC
• InChI: InChI=1S/C16H16O4/c1-19-14-9-11(8-13(17)10-14)6-7-12-4-3-5-15(18)16(12)20-2/h3-10,17-18H,1-2H3/b7-6+
• InChI Key: NYSXLCHSDQNVBS-VOTSOKGWSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₆H₁₆O₄
• Molecular Weight: 272.29 g/mol
• Exact Mass: 272.10485899 g/mol
• Topological Polar Surface Area (TPSA): 58.90 Ų
• XlogP: 3.40

Synonyms

• CHEBI:66755
• 3-[(E)-2-(3-hydroxy-5-methoxyphenyl)ethenyl]-2-methoxyphenol
• CHEMBL2012418
• AKOS040762872
• 886747-63-3
• trans-3,3'-Dihydroxy-2',5-dimethoxystilbene
• Q27135380

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	97.92%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	96.35%	95.56%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	94.04%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	92.13%	86.33%
CHEMBL2581	P07339	Cathepsin D	91.32%	98.95%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	90.24%	99.15%
CHEMBL3401	O75469	Pregnane X receptor	90.10%	94.73%
CHEMBL3194	P02766	Transthyretin	89.69%	90.71%
CHEMBL1929	P47989	Xanthine dehydrogenase	88.94%	96.12%
CHEMBL2535	P11166	Glucose transporter	87.38%	98.75%
CHEMBL3192	Q9BY41	Histone deacetylase 8	87.28%	93.99%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.10%	96.09%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	86.06%	92.68%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.88%	94.45%
CHEMBL2146302	O94925	Glutaminase kidney isoform, mitochondrial	85.52%	100.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	82.93%	99.17%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	81.21%	91.71%

Plants that contains it

• Pholidota chinensis
• Pholidota yunnanensis

Cross-Links

• PubChem: 11507326
• LOTUS: LTS0141708
• wikiData: Q27135380