EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
We are looking for a new Chemistry curator to join the ChEBI team. Find out more about it here.
CHEBI:233566 - NCX-4040
| Formula | C16H13NO7 |
| Net Charge | 0 |
| Average Mass | 331.280 |
| Monoisotopic Mass | 331.06920 |
| SMILES | CC(=O)Oc1ccccc1C(=O)Oc1ccc(CO[N+](=O)[O-])cc1 |
| InChI | InChI=1S/C16H13NO7/c1-11(18)23-15-5-3-2-4-14(15)16(19)24-13-8-6-12(7-9-13)10-22-17(20)21/h2-9H,10H2,1H3 |
| InChIKey | CTHNKWFUDCMLIQ-UHFFFAOYSA-N |
| Roles Classification |
|---|
| Chemical Role: | nitric oxide donor An agent, with unique chemical structure and biochemical requirements, which generates nitric oxide. |
| Biological Roles: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. apoptosis inducer Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. chemosensitiser Any compound that can sensitise tumour cells to chemotherapy. |
| Applications: | analgesic An agent capable of relieving pain without the loss of consciousness or without producing anaesthesia. In addition, analgesic is a role played by a compound which is exhibited by a capability to cause a reduction of pain symptoms. antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. anti-inflammatory agent Any compound that has anti-inflammatory effects. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| NCX-4040 (CHEBI:233566) has functional parent acetylsalicylic acid (CHEBI:15365) |
| NCX-4040 (CHEBI:233566) has role analgesic (CHEBI:35480) |
| NCX-4040 (CHEBI:233566) has role anti-inflammatory agent (CHEBI:67079) |
| NCX-4040 (CHEBI:233566) has role antifungal agent (CHEBI:35718) |
| NCX-4040 (CHEBI:233566) has role antineoplastic agent (CHEBI:35610) |
| NCX-4040 (CHEBI:233566) has role apoptosis inducer (CHEBI:68495) |
| NCX-4040 (CHEBI:233566) has role chemosensitiser (CHEBI:233442) |
| NCX-4040 (CHEBI:233566) has role nitric oxide donor (CHEBI:50566) |
| NCX-4040 (CHEBI:233566) is a benzoate ester (CHEBI:36054) |
| NCX-4040 (CHEBI:233566) is a nitro compound (CHEBI:35715) |
| NCX-4040 (CHEBI:233566) is a phenyl acetates (CHEBI:140310) |
| IUPAC Name |
|---|
| 4-[(nitrooxy)methyl]phenyl 2-(acetyloxy)benzoate |
| Synonyms | Source |
|---|---|
| 2-(acetyloxy)benzoic acid 4-(nitroxymethyl)phenyl ester | ChEBI |
| [4-(nitrooxymethyl)phenyl] 2-acetyloxybenzoate | ChEBI |
| NCX 4040 | SUBMITTER |
| NCX4040 | ChEBI |
| NO-aspirin | SUBMITTER |
| Manual Xrefs | Databases |
|---|---|
| HMDB0255675 | HMDB |
| Registry Numbers | Sources |
|---|---|
| CAS:287118-97-2 | SUBMITTER |
| Citations |
|---|