4'-Prenyl-2,4,3',5'-tetrahydroxystilbene

Details

• Internal ID: 9490c0dd-22ac-46ee-baff-9f6736231a50
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 5-[2-(2,4-dihydroxyphenyl)ethenyl]-2-(3-methylbut-2-enyl)benzene-1,3-diol
• SMILES (Canonical): CC(=CCC1=C(C=C(C=C1O)C=CC2=C(C=C(C=C2)O)O)O)C
• SMILES (Isomeric): CC(=CCC1=C(C=C(C=C1O)C=CC2=C(C=C(C=C2)O)O)O)C
• InChI: InChI=1S/C19H20O4/c1-12(2)3-8-16-18(22)9-13(10-19(16)23)4-5-14-6-7-15(20)11-17(14)21/h3-7,9-11,20-23H,8H2,1-2H3
• InChI Key: FEHGVKWVMWWVQZ-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₂₀O₄
• Molecular Weight: 312.40 g/mol
• Exact Mass: 312.13615911 g/mol
• Topological Polar Surface Area (TPSA): 80.90 Ų
• XlogP: 4.70

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	98.31%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.28%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	94.05%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	93.40%	94.73%
CHEMBL3194	P02766	Transthyretin	92.00%	90.71%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.61%	96.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	89.33%	86.33%
CHEMBL3038469	P24941	CDK2/Cyclin A	87.23%	91.38%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	85.87%	95.56%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	84.30%	91.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	81.03%	96.09%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.19%	89.00%
CHEMBL4208	P20618	Proteasome component C5	80.10%	90.00%

Plants that contains it

• Artocarpus altilis
• Artocarpus heterophyllus

Cross-Links

• PubChem: 442717
• LOTUS: LTS0064980
• wikiData: Q104993968