| BioID | bio197561 |
|---|
| Name | O-COUMARIC ACID |
|---|
| ChEMBL ID | CHEMBL52564 |
|---|
| Molecular Formula | C9H8O3 |
|---|
| Molecular Weight | 164.16 |
|---|
| Molecular Weight (Monoisotopic) | 164.0473 |
|---|
| Type | Small molecule |
|---|
| Max Phase | -- |
|---|
| Target ID | Tar81 |
|---|
| Target Name | None |
|---|
| Synonyms | (E)-2-Hydroxycinnamic Acid|(E)-Coumarinic Acid|2-Hydroxycinnamic Acid|3-(2-Hydroxyphenyl)Acrylic Acid|O-Coumaric Acid |
|---|
| Smiles | O=C(O)/C=C/c1ccccc1O |
|---|
| Inchi | InChI=1S/C9H8O3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H,(H,11,12)/b6-5+ |
|---|
| Inchi Key | PMOWTIHVNWZYFI-AATRIKPKSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 39.0 |
|---|
| Bioactivities | 63.0 |
|---|
| Np Likeness Score | 0.58 |
|---|
| Records Key | ['7', '4a', '2-OH-cinnamic acid', '3', '8', '1', '2-Hydroxycinnamic acid', 'trans-o-Coumaric acid (35)', 'Ia', 'o-coumaric acid', '26', '19', '1c, 2-coumaric acid', '11b', '29', 'o-coumaric acid', '7', '8', 'PHE10', 'NP-3', '12', 'o-Coumaric acid', '24', '10a'] |
|---|
| Records Name | ['O-coumaric acid', '(E)-3-(2-Hydroxy-phenyl)-acrylic acid', '2-OH-cinnamic acid', '(E)-3-(2-Hydroxy-phenyl)-acrylic acid', 'O-coumaric acid', '3-(2-hydroxyphenyl)acrylic acid', '2-Hydroxycinnamic acid', '(E)-3-(2-Hydroxy-phenyl)-acrylic acid', '(E)-3-(2-Hydroxy-phenyl)-acrylic acid', '3-(2-hydroxyphenyl)acrylic acid', '(E)-coumarinic acid', '(E)-3-(2-Hydroxy-phenyl)-acrylic acid', '2-hydroxycinnamic acid', '3-(2-hydroxyphenyl)acrylic acid', 'trans-3-(2-hydroxyphenyl)acrylic acid', 'o-coumaric acid', '2-Hydroxycinnamic acid', '(E)-2-Hydroxycinnamic acid', 'o-Coumaric acid', '(E)-3-(2-hydroxyphenyl)acrylic acid', '3-(2-Hydroxyphenyl)prop-2-enoic Acid', 'o-Coumaric acid', '2-hydroxycinnamic acid', '2-hydroxy-trans-cinnamic acid'] |
|---|
| Withdrawn Flag | False |
|---|
| Orphan | -1 |
|---|
