FER
3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID
| Created: | 1999-07-08 |
| Last modified: | 2020-06-05 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 24 |
| Chiral Atom Count | 0 |
| Bond Count | 24 |
| Aromatic Bond Count | 6 |
Chemical Component Summary | |
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| Name | 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID |
| Synonyms | FERULIC ACID |
| Systematic Name (OpenEye OEToolkits) | (E)-3-(4-hydroxy-3-methoxy-phenyl)prop-2-enoic acid |
| Formula | C10 H10 O4 |
| Molecular Weight | 194.184 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)\C=C\c1cc(OC)c(O)cc1 |
| SMILES | CACTVS | 3.341 | COc1cc(C=CC(O)=O)ccc1O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)C=CC(=O)O |
| Canonical SMILES | CACTVS | 3.341 | COc1cc(\C=C\C(O)=O)ccc1O |
| Canonical SMILES | OpenEye OEToolkits | 1.5.0 | COc1cc(ccc1O)\C=C\C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C10H10O4/c1-14-9-6-7(2-4-8(9)11)3-5-10(12)13/h2-6,11H,1H3,(H,12,13)/b5-3+ |
| InChIKey | InChI | 1.03 | KSEBMYQBYZTDHS-HWKANZROSA-N |
Drug Info: DrugBank
| DrugBank ID | DB07767 |
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| Name | Ferulic acid |
| Groups | experimental |
| Synonyms | Ferulic acid |
| Categories |
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| CAS number | 1135-24-6 |
Drug Targets
| Name | Target Sequence | Pharmacological Action | Actions |
|---|---|---|---|
| Endo-1,4-beta-xylanase Y | MKNKRVLAKITALVVLLGVFFVLPSNISQLYADYEVVHDTFEVNFDGWCN... | unknown | |
| Endo-1,4-beta-xylanase Z | MSRKLFSVLLVGLMLMTSLLVTISSTSAASLPTMPPSGYDQVRNGVPRGQ... | unknown | |
| Est1e | SGAMYIDCDGIKLNAYLDMPKNNPEKCPLCIIIHGFTGHSEERHIVAVQE... | unknown | |
| O-methyltransferase | MGKGITGFDPSLYSYLQSISADDSFYLAQLRRETAHLPGAPMQISPEQAQ... | unknown | |
| Monocarboxylate transporter 1 | MPPAVGGPVGYTPPDGGWGWAVVIGAFISIGFSYAFPKSITVFFKEIEGI... | unknown | substrate |
| View More | |||
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison
T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS.
Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682
Related Resource References
| Resource Name | Reference |
|---|---|
| Pharos | CHEMBL32749 |
| PubChem | 445858 |
| ChEMBL | CHEMBL32749 |
| ChEBI | CHEBI:17620 |
| CCDC/CSD | GASVOL01, MUPNIV, ACOPUG, WOVQUW, GASVOL, FOSFIE, GASVOL02, BUFQAU, JACCIC, ODIDIR, OXICIJ02, YEPHOT, KUGKUV, MUPNER, RUWGOG, IVENAB, EROBEV, IVEMOO, EYUROI, WEBBEO |
| COD | 4502538, 2311803, 4512020, 1562114, 7227365 |
