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Structure
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|
| Relationships |
Total Number of functionally related protein(s) :
3
Total Number of Articles : 2
|
| PubChem |
5489114
|
| Molecular Formula |
C25H20O9 |
| SMILES |
COC1=C(C=CC(=C1)C2C(OC3=C(O2)C=CC(=C3)C4=CC(=O)C5=C(C=C(C=C5O4)O)O)CO)O |
| InChI |
InChI=1S/C25H20O9/c1-31-20-7-13(2-4-15(20)28)25-23(11-26)33-21-6-12(3-5-18(21)34-25)19-10-17(30)24-16(29)8-14(27)9-22(24)32-19/h2-10,23,25-29H,11H2,1H3 |
| synonyms |
- Hydnocarpin
- 51419-48-8
- (Rac)-Hydnocarpin
- 5,7-dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]chromen-4-one
- DTXSID50965736
- HY-N7199
- AKOS040760773
- MS-28549
- CS-0105215
- G17671
- 4H-1-Benzopyran-4-one, 2-(2,3-dihydro-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-1,4-benzodioxin-6-yl)-5,7-dihydroxy-, trans-
- 5,7-Dihydroxy-2-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]-4H-1-benzopyran-4-one
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| Properties |
| Property |
Value |
| MW |
464.4 g/mol |
| HBD |
4 |
| HBA |
9 |
| Rotatable Bond Count |
4 |
| Exact Mass |
464.11073221 g/mol |
| Monoisotopic Mass |
464.11073221 g/mol |
| Heavy Atom Count |
34 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
2 |
| Covalent Unit Count |
1 |
| Complexity |
772 |
| xlogp |
3.3 |
| Topological Polar Surface Area |
135 |
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