3,3',5,5'-Tetrahydroxy-4-methoxystilbene

Details

• Internal ID: 2dae7f38-717c-4fa3-bf6b-ba16286a8a0f
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 5-[2-(3,5-dihydroxyphenyl)ethenyl]-2-methoxybenzene-1,3-diol
• SMILES (Canonical): COC1=C(C=C(C=C1O)C=CC2=CC(=CC(=C2)O)O)O
• SMILES (Isomeric): COC1=C(C=C(C=C1O)C=CC2=CC(=CC(=C2)O)O)O
• InChI: InChI=1S/C15H14O5/c1-20-15-13(18)6-10(7-14(15)19)3-2-9-4-11(16)8-12(17)5-9/h2-8,16-19H,1H3
• InChI Key: BKJYMZRGLINXRP-UHFFFAOYSA-N
• Popularity: 16 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₄O₅
• Molecular Weight: 274.27 g/mol
• Exact Mass: 274.08412354 g/mol
• Topological Polar Surface Area (TPSA): 90.20 Ų
• XlogP: 2.70

Synonyms

There are no found synonyms.

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	97.31%	91.11%
CHEMBL3194	P02766	Transthyretin	91.23%	90.71%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.12%	96.00%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.55%	95.56%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	86.52%	92.68%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	86.32%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.26%	86.33%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.93%	99.17%
CHEMBL3401	O75469	Pregnane X receptor	81.29%	94.73%
CHEMBL4208	P20618	Proteasome component C5	81.22%	90.00%

Plants that contains it

• Phoenix dactylifera
• Polygonatum orientale
• Yucca periculosa
• Yucca schidigera

Cross-Links

• PubChem: 69244670
• LOTUS: LTS0138037
• wikiData: Q104937650