7-Ethoxyresorufin
| PubChem CID | 3294 |
| Molecular Formula | C14H11NO3 |
| Structure |
|
| Synonyms |
7-Ethoxyresorufin
5725-91-7 7-Ethoxy-3H-phenoxazin-3-one Resorufin ethyl ether ETHOXYRESORUFIN 7-ethoxy resorufin 7-Ethoxyphenoxazone 7-ethoxyphenoxazin-3-one 3H-Phenoxazin-3-one, 7-ethoxy- CHEBI:34480 59AF853SW7 MFCD00037661 O7-Ethylresorufin Resorufinethyl ether O-ETHYLRESORUFIN 7-ethoxy-3-phenoxazinone SCHEMBL104497 UNII-59AF853SW7 7-ER CHEMBL1080002 BDBM21360 DTXSID90205860 CRCWUBLTFGOMDD-UHFFFAOYSA-N HY-D0145 STK299139 AKOS005428988 AS-59402 CS-0010054 NS00115885 D97845 J-100239 Q27116097 |
Computed Descriptors
| IUPAC Name | 7-ethoxyphenoxazin-3-one |
| SMILES | CCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2 |
| Canonical SMILES | CCOC1=CC2=C(C=C1)N=C3C=CC(=O)C=C3O2 |
| InChI | InChI=1S/C14H11NO3/c1-2-17-10-4-6-12-14(8-10)18-13-7-9(16)3-5-11(13)15-12/h3-8H,2H2,1H3 |
| InChIKey | CRCWUBLTFGOMDD-UHFFFAOYSA-N |
Computed Properties
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| Molecular Weight | 241.24 g/mol |
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 241.074 |
| Monoisotopic Mass | 241.074 |
| Topological Polar Surface Area | 47.9 |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 450 |
| 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 |
5 pairs of Verified P450 and 7-Ethoxyresorufin
| Insect | Gene Symbol | Validation | Reference |
|---|---|---|---|
| Helicoverpa armigera | CYP9A12 | E | |
| Helicoverpa armigera | CYP9A14 | E | |
| Helicoverpa armigera | CYP9A17 | E | |
| Laodelphax striatellus | CYP353D1V2 | X | |
| Laodelphax striatellus | CYP439A1V3 | X |