|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
201
Total Number of Articles : 119
|
| PubChem |
5318998
|
| Molecular Formula |
C21H22O4 |
| SMILES |
CC(C)(C=C)C1=C(C=C(C(=C1)/C=C/C(=O)C2=CC=C(C=C2)O)OC)O |
| InChI |
InChI=1S/C21H22O4/c1-5-21(2,3)17-12-15(20(25-4)13-19(17)24)8-11-18(23)14-6-9-16(22)10-7-14/h5-13,22,24H,1H2,2-4H3/b11-8+ |
| synonyms |
- licochalcone a
- 58749-22-7
- Licochalcone-A
- (E)-3-(4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl)-1-(4-hydroxyphenyl)prop-2-en-1-one
- (E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
- CHEMBL139702
- JTV5467968
- 3-Dimethylallyl-4,4'-dihydroxy-6-methoxychalcone
- 2-Propen-1-one, 3-(5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl)-1-(4-hydroxyphenyl)-, (E)-
- LicochalconeA
- (2E)-3-[4-hydroxy-2-methoxy-5-(2-methylbut-3-en-2-yl)phenyl]-1-(4-hydroxyphenyl)prop-2-en-1-one
- 2-Propen-1-one,3-[5-(1,1-dimethyl-2-propenyl)-4-hydroxy-2-methoxyphenyl]-1-(4-hydroxyphenyl)-, (2E)-
- LICOAGROCHACONE A
- Chalcone base + 2O, 1MeO, 1Prenyl or Licochalcone A (Not validated)
- UNII-JTV5467968
- LICOCHALCONE A [MI]
- SCHEMBL114042
- LICOCHALCONE A [WHO-DD]
- DTXSID10904181
- CHEBI:125689
- CHEBI:174541
- KAZSKMJFUPEHHW-DHZHZOJOSA-N
- GLXC-10036
- BCP08941
- EX-A1193
- HY-N0372
- BDBM50068270
- HSCI1_000078
- LMPK12120424
- MFCD01417903
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| Properties |
| Property |
Value |
| MW |
338.4 g/mol |
| HBD |
2 |
| HBA |
4 |
| Rotatable Bond Count |
6 |
| Exact Mass |
338.15180918 g/mol |
| Monoisotopic Mass |
338.15180918 g/mol |
| Heavy Atom Count |
25 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
488 |
| xlogp |
4.9 |
| Topological Polar Surface Area |
66.8 |
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