4'-Geranyloxy-4,2'-dihydroxychalcone

Details

• Internal ID: a9fcc1c5-6257-408a-9bb2-3e95bdfa26fa
• Taxonomy: Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 2-Hydroxychalcones
• IUPAC Name: (E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
• SMILES (Canonical): CC(=CCCC(=CCOC1=CC(=C(C=C1)C(=O)C=CC2=CC=C(C=C2)O)O)C)C
• SMILES (Isomeric): CC(=CCC/C(=C/COC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C
• InChI: InChI=1S/C25H28O4/c1-18(2)5-4-6-19(3)15-16-29-22-12-13-23(25(28)17-22)24(27)14-9-20-7-10-21(26)11-8-20/h5,7-15,17,26,28H,4,6,16H2,1-3H3/b14-9+,19-15+
• InChI Key: YGNHPWQWWZLUBY-UHGDPLQBSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₅H₂₈O₄
• Molecular Weight: 392.50 g/mol
• Exact Mass: 392.19875937 g/mol
• Topological Polar Surface Area (TPSA): 66.80 Ų
• XlogP: 6.90

Synonyms

• 4'-geranyloxyisoliquiritigenin
• CHEMBL567921
• SCHEMBL18265489
• LMPK12120052

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	97.99%	91.11%
CHEMBL3060	Q9Y345	Glycine transporter 2	96.14%	99.17%
CHEMBL4208	P20618	Proteasome component C5	94.24%	90.00%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.21%	86.33%
CHEMBL2039	P27338	Monoamine oxidase B	93.34%	92.51%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	93.05%	93.10%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	92.08%	96.09%
CHEMBL3401	O75469	Pregnane X receptor	91.84%	94.73%
CHEMBL2581	P07339	Cathepsin D	91.65%	98.95%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	88.07%	96.00%
CHEMBL4769	O95749	Geranylgeranyl pyrophosphate synthetase	87.69%	92.08%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	87.10%	94.45%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	86.74%	95.50%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	86.45%	99.15%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	86.38%	95.56%
CHEMBL2535	P11166	Glucose transporter	85.62%	98.75%
CHEMBL215	P09917	Arachidonate 5-lipoxygenase	84.90%	92.68%
CHEMBL3194	P02766	Transthyretin	81.66%	90.71%
CHEMBL2007	P16234	Platelet-derived growth factor receptor alpha	81.63%	91.07%

Plants that contains it

• Millettia ferruginea
• Millettia griffoniana
• Millettia usaramensis

Cross-Links

• PubChem: 10318361
• LOTUS: LTS0131016
• wikiData: Q105348173