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Structure
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| Relationships |
Total Number of functionally related protein(s) :
108
Total Number of Articles : 56
|
| PubChem |
5273755
|
| Molecular Formula |
C18H16O7 |
| SMILES |
COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC |
| InChI |
InChI=1S/C18H16O7/c1-22-12-5-4-9(6-14(12)23-2)13-7-10(19)16-15(25-13)8-11(20)18(24-3)17(16)21/h4-8,20-21H,1-3H3 |
| synonyms |
- Eupatilin
- 22368-21-4
- Euptailin
- 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxychromen-4-one
- 5,7-Dihydroxy-3',4',6-trimethoxyflavone
- NSC-122413
- CHEBI:4932
- 2-(3,4-Dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-4H-chromen-4-one
- CHEMBL312750
- MFCD13194819
- 4D58O05490
- Eupatilin?
- UNII-4D58O05490
- NSC 122413
- EUPATILIN [WHO-DD]
- SCHEMBL1033509
- Eupatilin, >=98% (HPLC)
- DTXSID30176904
- GLXC-10442
- 2-(3,4-dimethoxyphenyl)-5,7-dihydroxy-6-methoxy-chromen-4-one
- BCP09703
- EX-A7726
- HY-N0783
- BDBM50060926
- HB3894
- LMPK12111228
- NSC122413
- s3846
- SC3971
- AKOS015917432
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| Properties |
| Property |
Value |
| MW |
344.3 g/mol |
| HBD |
2 |
| HBA |
7 |
| Rotatable Bond Count |
4 |
| Exact Mass |
344.08960285 g/mol |
| Monoisotopic Mass |
344.08960285 g/mol |
| Heavy Atom Count |
25 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
520 |
| xlogp |
2.9 |
| Topological Polar Surface Area |
94.4 |
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