|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
4
Total Number of Articles : 3
|
| PubChem |
54694371
|
| Molecular Formula |
C18H10O5 |
| SMILES |
C1=CC=C(C=C1)C2=C(/C(=C\3/C4=CC=CC=C4OC3=O)/OC2=O)O |
| InChI |
InChI=1S/C18H10O5/c19-15-13(10-6-2-1-3-7-10)17(20)23-16(15)14-11-8-4-5-9-12(11)22-18(14)21/h1-9,19H/b16-14+ |
| synonyms |
- Calycin
- Calycine
- Oxypulvic acid lactone
- BRN 1352451
- 3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furylidene)-2(3H)-benzofuranone
- 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-
- 5-19-06-00444 (Beilstein Handbook Reference)
- 2(3H)-BENZOFURANONE, 3-(3-HYDROXY-5-OXO-4-PHENYL-2(5H)-FURYLIDENE)-
- (3E)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
- (3Z)-3-(3-hydroxy-5-oxo-4-phenylfuran-2-ylidene)-1-benzofuran-2-one
- 2(3H)-Benzofuranone, 3-(3-hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-(9CI)
- cgrcgrbhnkrilw-jqijeirasa-n
- 10091-92-6
- SCHEMBL534869
- CHEMBL2272214
- CHEBI:144129
- (3E)-3-(3-Hydroxy-5-oxo-4-phenyl-2(5H)-furanylidene)-1-benzofuran-2(3H)-one #
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| Properties |
| Property |
Value |
| MW |
306.3 g/mol |
| HBD |
1 |
| HBA |
5 |
| Rotatable Bond Count |
1 |
| Exact Mass |
306.05282342 g/mol |
| Monoisotopic Mass |
306.05282342 g/mol |
| Heavy Atom Count |
23 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
609 |
| xlogp |
2.6 |
| Topological Polar Surface Area |
72.8 |
|