| Number |
qtl-m1653 |
| Declustering Potential(DP) |
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| Collision Energy(CE) |
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| Observed mass(Da) |
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| Exact mass(Da) |
|
| Accurate mass error(ppm) |
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| Molecular formula |
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| Ionization model |
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| Ret. Time(min) |
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| Precursor ions(Q1) |
353.2 |
| Product ions(Q3) |
261.2 |
| Main fragments |
|
| Compound |
4'-O-Methylbavachalcone |
| Identification |
putative |
| class |
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| Organism |
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| Reference |
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| CV(%) |
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| H2 |
|
| ChEBI_ID |
CHEBI:85123 |
| Agricola Citation Links |
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| ArrayExpress Database Links |
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| BRAND Names |
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| Beilstein Registry Numbers |
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| BioModels Database Links |
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| CAS Registry Numbers |
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| COMe Database Links |
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| ChEBI ID |
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| ChEBI Name |
4'-O-methylbavachalcone;; |
| Charge |
0;; |
| Chinese Abstracts Citation Links |
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| CiteXplore Citation Links |
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| Definition |
A member if the class of chalcones that is trans-chalcone substituted by a prenyl group at position 5', a hydroxy group at position 2' and methoxy groups at positions 4' and 4 respectively.;; |
| DrugBank Database Links |
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| Formulae |
C22H24O4;; |
| Gmelin Registry Numbers |
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| INN |
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| IUPAC Names |
(2E)-1-[2-hydroxy-4-methoxy-5-(3-methylbut-2-en-1-yl)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one;; |
| InChI |
InChI=1S/C22H24O4/c1-15(2)5-9-17-13-19(21(24)14-22(17)26-4)20(23)12-8-16-6-10-18(25-3)11-7-16/h5-8,10-14,24H,9H2,1-4H3/b12-8+;; |
| InChIKey |
GCEGUTHXMYHGKF-XYOKQWHBSA-N;; |
| IntAct Database Links |
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| IntEnz Database Links |
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| KEGG COMPOUND Database Links |
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| KEGG DRUG Database Links |
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| KEGG GLYCAN Database Links |
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| LIPID MAPS class Database Links |
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| LIPID MAPS instance Database Links |
|
| Last Modified |
06 Mar 2015;; |
| Mass |
352.42360;; |
| MolBase Database Links |
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| PDBeChem Database Links |
|
| Patent Database Links |
|
| PubChem Database Links |
249807100;; |
| PubMed Central Citation Links |
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| PubMed Citation Links |
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| RESID Database Links |
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| Reactome Database Links |
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| Rhea Database Links |
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| SABIO-RK Database Links |
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| SMILES |
COc1ccc(\C=C\C(=O)c2cc(CC=C(C)C)c(OC)cc2O)cc1;; |
| Secondary ChEBI ID |
|
| Star |
3;; |
| Synonyms |
2'-hydroxy-5'-prenyl-4,4'-dimethoxychalcone;; |
| UM-BBD compID Database Links |
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| UniProt Database Links |
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| ChEBI Image |
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