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Structure
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| Relationships |
Total Number of functionally related protein(s) :
391
Total Number of Articles : 242
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| PubChem |
10228
|
| Molecular Formula |
C15H16O3 |
| SMILES |
CC(=CCC1=C(C=CC2=C1OC(=O)C=C2)OC)C |
| InChI |
InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 |
| synonyms |
- Osthole
- Osthol
- 484-12-8
- Ostole
- Ostol
- 7-methoxy-8-(3-methylbut-2-en-1-yl)-2H-chromen-2-one
- 7-Methoxy-8-isopentenylcoumarin
- 2H-1-Benzopyran-2-one, 7-methoxy-8-(3-methyl-2-butenyl)-
- 7-methoxy-8-(3-methylbut-2-enyl)chromen-2-one
- 8-(3-Methyl-2-butenyl)herniarin
- 7-methoxy-8-(3-methyl-2-buten-1-yl)-2H-chromen-2-one
- 7-methoxy-8-(3-methyl-2-butenyl)coumarin
- NSC 31868
- UNII-XH1TI1759C
- Coumarin, 7-methoxy-8-(3-methyl-2-butenyl)-
- XH1TI1759C
- 7-METHOXY-8-(3-METHYL-2-BUTENYL)-COUMARIN
- NSC-31868
- CHEMBL52229
- CHEBI:69832
- HSDB 8479
- NSC31868
- MFCD00076049
- 7-methoxy-8-(3-methyl-2-butenyl)-2h-1-benzopyran-2-one
- 7-METHOXY-8-(3-METHYLBUT-2-ENYL)-2-CHROMENONE
- SMR000156202
- Osthole (Osthol)
- A0O
- Osthole,(S)
- 7-Methoxy-8-(3-methyl-but-2-enyl)-chromen-2-one
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| Properties |
| Property |
Value |
| MW |
244.28 g/mol |
| HBD |
0 |
| HBA |
3 |
| Rotatable Bond Count |
3 |
| Exact Mass |
244.109944368 g/mol |
| Monoisotopic Mass |
244.109944368 g/mol |
| Heavy Atom Count |
18 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
366 |
| xlogp |
3.8 |
| Topological Polar Surface Area |
35.5 |
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