2-Hydroxy-3-methoxycinnamic acid
PubChem CID: 5463156
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| Compound Synonyms | 2-HYDROXY-3-METHOXYCINNAMIC ACID, 1081760-29-3, (E)-3-(2-Hydroxy-3-methoxyphenyl)acrylic acid, 3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid, (E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid, (2E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid, Orthoferulic acid, O-Ferulic acid, Cinnamic acid, 2-hydroxy-3-methoxy-, SCHEMBL3687130, CHEBI:173938, AKOS000126284, 3-(2-Hydroxy-3-methoxyphenyl)acrylic acid, CS-0450733, EN300-1826841, 3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 9CI |
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| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 14.0 |
| Description | Present in wheat shoots. o-Ferulic acid is found in common wheat. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 224.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoic acid |
| Nih Violation | False |
| Class | Cinnamic acids and derivatives |
| Xlogp | 1.5 |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | False |
| Subclass | Hydroxycinnamic acids and derivatives |
| Molecular Formula | C10H10O4 |
| Inchi Key | VZFPHVWLPRCAGD-AATRIKPKSA-N |
| Rotatable Bond Count | 3.0 |
| State | Solid |
| Synonyms | 2-Hydroxy-3-methoxycinnamic acid, 3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 9CI, o-Ferulic acid, Orthoferulic acid, 3-(2-Hydroxy-3-methoxyphenyl)-2-propenoate, 3-(2-Hydroxy-3-methoxyphenyl)-2-propenoic acid, 9ci, O-Ferulic acid, (2E)-3-(2-Hydroxy-3-methoxyphenyl)prop-2-enoate, O-Ferulate |
| Compound Name | 2-Hydroxy-3-methoxycinnamic acid |
| Kingdom | Organic compounds |
| Exact Mass | 194.058 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 194.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 194.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Inchi | InChI=1S/C10H10O4/c1-14-8-4-2-3-7(10(8)13)5-6-9(11)12/h2-6,13H,1H3,(H,11,12)/b6-5+ |
| Smiles | COC1=CC=CC(=C1O)/C=C/C(=O)O |
| Defined Bond Stereocenter Count | 1.0 |
| Taxonomy Direct Parent | Hydroxycinnamic acids |
- 1. Outgoing r'ship
FOUND_INto/from Triticum Aestivum (Plant) Rel Props:Source_db:fooddb_chem_all