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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
4
Total Number of Articles : 2
|
| PubChem |
99926
|
| Molecular Formula |
C16H14O3 |
| SMILES |
COC1=CC(=O)C(=CC1=O)C(C=C)C2=CC=CC=C2 |
| InChI |
InChI=1S/C16H14O3/c1-3-12(11-7-5-4-6-8-11)13-9-15(18)16(19-2)10-14(13)17/h3-10,12H,1H2,2H3 |
| synonyms |
- 4-Methoxydalbergione
- 28396-75-0
- 2-Methoxy-5-(1-phenylallyl)-4-benzoquinone
- NSC 269121
- 2-Methoxy-5-(1-phenylallyl)-p-benzoquinone
- 2-methoxy-5-(1-phenylprop-2-enyl)cyclohexa-2,5-diene-1,4-dione
- 2,5-Cyclohexadiene-1,4-dione, 2-methoxy-5-(1-phenyl-2-propenyl)-
- NSC269121
- NSC629750
- Spectrum_001081
- SpecPlus_000079
- Spectrum2_000654
- Spectrum3_000201
- Spectrum4_000941
- Spectrum5_001903
- BSPBio_001781
- KBioGR_001522
- KBioSS_001561
- SPECTRUM201092
- DivK1c_006175
- SPBio_000687
- CHEMBL1554531
- KBio1_001119
- KBio2_001561
- KBio2_004129
- KBio2_006697
- KBio3_001281
- 2-methoxy-5-(1-phenylallyl)cyclohexa-2,5-diene-1,4-dione
- DTXSID201315149
- CAA54395
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| Properties |
| Property |
Value |
| MW |
254.28 g/mol |
| HBD |
0 |
| HBA |
3 |
| Rotatable Bond Count |
4 |
| Exact Mass |
254.094294304 g/mol |
| Monoisotopic Mass |
254.094294304 g/mol |
| Heavy Atom Count |
19 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
1 |
| Covalent Unit Count |
1 |
| Complexity |
451 |
| xlogp |
2.7 |
| Topological Polar Surface Area |
43.4 |
|