7-Methoxy-3H-phenoxazin-3-one
| PubChem CID | 119220 |
| Molecular Formula | C13H9NO3 |
| Structure |
|
| Synonyms |
7-Methoxy-3H-phenoxazin-3-one
5725-89-3 Resorufin methyl ether Methoxyresorufin 7-methoxyphenoxazin-3-one 7-Methoxyresorufin MFCD00037663 O-Methylresorufin O7-Methylresorufin methyl resorufin ether 3H-Phenoxazin-3-one, 7-methoxy- Resorufin 7-O-methyl ether SCHEMBL563392 CHEMBL3943621 DTXSID80205859 US9216974, Methoxy-resorufin BDBM195584 HY-D0144 AKOS016008573 CCG-356383 AS-83047 CS-0010053 NS00116023 C16007 Resorufin methyl ether, suitable for fluorescence, >=98.0% (TLC) |
Computed Descriptors
| IUPAC Name | 7-methoxyphenoxazin-3-one |
| SMILES | COC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2 |
| Canonical SMILES | COC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2 |
| InChI | InChI=1S/C13H9NO3/c1-16-9-3-5-11-13(7-9)17-12-6-8(15)2-4-10(12)14-11/h2-7H,1H3 |
| InChIKey | KNYYMGDYROYBRE-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 227.21 g/mol |
| XLogP3 | 1.5 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 1 |
| Exact Mass | 227.058 |
| Monoisotopic Mass | 227.058 |
| Topological Polar Surface Area | 47.9 |
| Heavy Atom Count | 17 |
| Formal Charge | 0 |
| Complexity | 436 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
12 pairs of Verified P450 and 7-Methoxy-3H-phenoxazin-3-one
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Helicoverpa armigera | CYP18A1 | X | |
| Helicoverpa armigera | CYP301B1 | X | |
| Helicoverpa armigera | CYP302A1 | X | |
| Helicoverpa armigera | CYP303A1 | X | |
| Helicoverpa armigera | CYP304F1 | X | |
| Helicoverpa armigera | CYP306A1 | X | |
| Helicoverpa armigera | CYP307A2 | X | |
| Helicoverpa armigera | CYP9A12 | Y | |
| Helicoverpa armigera | CYP9A12 | E | |
| Helicoverpa armigera | CYP9A14 | Y | |
| Helicoverpa armigera | CYP9A14 | E | |
| Helicoverpa armigera | CYP9A17 | E |