(e)-3,5,4'-Trihydroxy-4-geranylstilbene

Details

• Internal ID: 77895df7-4823-4a88-9eb6-c8fcd7ab91ce
• Taxonomy: Phenylpropanoids and polyketides > Stilbenes
• IUPAC Name: 2-[(2E)-3,7-dimethylocta-2,6-dienyl]-5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol
• SMILES (Canonical): CC(=CCCC(=CCC1=C(C=C(C=C1O)C=CC2=CC=C(C=C2)O)O)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/CC1=C(C=C(C=C1O)/C=C/C2=CC=C(C=C2)O)O)/C)C
• InChI: InChI=1S/C24H28O3/c1-17(2)5-4-6-18(3)7-14-22-23(26)15-20(16-24(22)27)9-8-19-10-12-21(25)13-11-19/h5,7-13,15-16,25-27H,4,6,14H2,1-3H3/b9-8+,18-7+
• InChI Key: BBTTUQSLOSGAHM-OBOBVVSZSA-N
• Popularity: 4 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₄H₂₈O₃
• Molecular Weight: 364.50 g/mol
• Exact Mass: 364.20384475 g/mol
• Topological Polar Surface Area (TPSA): 60.70 Ų
• XlogP: 6.90

Synonyms

• SCHEMBL24074948
• BDBM50383930
• (e)-3,5,4'-trihydroxy-4-geranylstilbene

2D Structure

ADMET Properties (via admetSAR 2)

Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL235	P37231	Peroxisome proliferator-activated receptor gamma	110 nM	IC50	via Super-PRED

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	97.48%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	94.16%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	93.51%	94.73%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	92.85%	92.08%
CHEMBL2581	P07339	Cathepsin D	92.64%	98.95%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	92.23%	93.10%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	90.23%	96.00%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	89.88%	92.68%
CHEMBL1293249	Q13887	Kruppel-like factor 5	85.81%	86.33%
CHEMBL3194	P02766	Transthyretin	84.89%	90.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	84.34%	94.45%
CHEMBL3060	Q9Y345	Glycine transporter 2	83.42%	99.17%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	82.81%	95.56%
CHEMBL242	Q92731	Estrogen receptor beta	81.81%	98.35%

Plants that contains it

• Milicia excelsa

Cross-Links

• PubChem: 14163455
• LOTUS: LTS0086618
• wikiData: Q104923052