3'-Geranylchalconaringenin

Details

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Internal ID 98587fb8-e0fd-4e98-8720-c608b73e823f
Taxonomy Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Chalcones and dihydrochalcones > 3-prenylated chalcones
IUPAC Name (E)-1-[3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,4,6-trihydroxyphenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
SMILES (Canonical) CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)C(=O)C=CC2=CC=C(C=C2)O)O)C)C
SMILES (Isomeric) CC(=CCC/C(=C/CC1=C(C(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)O)O)/C)C
InChI InChI=1S/C25H28O5/c1-16(2)5-4-6-17(3)7-13-20-22(28)15-23(29)24(25(20)30)21(27)14-10-18-8-11-19(26)12-9-18/h5,7-12,14-15,26,28-30H,4,6,13H2,1-3H3/b14-10+,17-7+
InChI Key GVXVZXDPRNGAOE-ZCFXJLACSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H28O5
Molecular Weight 408.50 g/mol
Exact Mass 408.19367399 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP 6.60

Synonyms

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3'-Geranyl-4,2',4',6'-tetrahydroxychalcone
SCHEMBL740458
CHEMBL480722
DTXSID301311083
LMPK12120257
2',4',6',4-tetrahydroxy-3'-geranylchalcone
3'-Geranyl-2',4,4',6'-tetrahydroxychalcone
2',4,4',6'-Tetrahydroxy-3'-(3,7-dimethyl-2,6-octadienyl)chalcone
(E)-1-[2,4,6-Trihydroxy-3-(3,7-dimethyl-2,6-octadienyl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
189299-03-4
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 3'-Geranylchalconaringenin

3D Structure

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ADMET Properties (via admetSAR 2)

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

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
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 98.50% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 93.37% 94.73%
CHEMBL2581 P07339 Cathepsin D 92.86% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.03% 86.33%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 90.34% 93.10%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.71% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.50% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.47% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.22% 94.45%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 87.01% 92.08%
CHEMBL3194 P02766 Transthyretin 86.71% 90.71%
CHEMBL4208 P20618 Proteasome component C5 85.90% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.71% 89.00%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 84.04% 90.71%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 83.73% 85.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.71% 95.56%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.39% 95.50%

Cross-Links

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PubChem 10070028
NPASS NPC23126
ChEMBL CHEMBL480722
LOTUS LTS0194258
wikiData Q104250562