Homoveratric acid
PubChem CID: 7139
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| Compound Synonyms | 93-40-3, Homoveratric acid, 3,4-Dimethoxyphenylacetic acid, 2-(3,4-dimethoxyphenyl)acetic acid, (3,4-DIMETHOXYPHENYL)ACETIC ACID, Benzeneacetic acid, 3,4-dimethoxy-, (3,4-Dimethoxyphenyl) Acetic Acid, 3,4-Dimethoxybenzeneacetic acid, Homoveratrumic acid, 3,4-Dimethoxyphenylaceticacid, 3,4-Dimethoxyphenyl acetic acid, Acetic acid, (3,4-dimethoxyphenyl)-, (3,4-Dimethoxy-phenyl)-acetic acid, NSC 2753, EINECS 202-244-5, YY50GIT3C7, MFCD00004335, BRN 1110282, AI3-23354, 3,4-(Dimethoxy)benzeneacetic acid, NSC-2753, NSC-27897, DTXSID5059086, CHEBI:86655, 2-(3,4-DIMETHOXYPHENYL)ETHANOIC ACID, Benzeneacetic acid,4-dimethoxy-, Acetic acid,4-dimethoxyphenyl)-, 3,4-(Dimethoxyphenyl) acetic acid, (3,?4-?Dimethoxyphenyl)?acetic Acid(Homoveratric Acid), Homoveratrate, homovaretic acid, 2-(3,4-Dimethoxyphenyl)acetate, 2-(3,4-Dimethoxyphenyl)acetic Acid, 3,4-Dimethoxybenzeneacetic Acid, NSC 2753, NSC 27897, , ChemDiv3_014360, 3,4-Dimethoxyphenylacetate, bmse000682, UNII-YY50GIT3C7, 3,4-Dimethoxybenzeneacetate, 3,4-Dimethoxyphenylacetic acid (Homoveratric acid), (3,4-Dimethoxyphenyl)acetate, SCHEMBL153055, 3,4-dimethoxy-phenylacetic acid, 3,4-dimethoxyphenyl-acetic acid, DTXCID6048836, NSC2753, HMS1513M16, KUC108679N, 3,4-Dimethyloxy phenyl acetic acid, Acetic acid, 3,4-dimethoxyphenyl-, HY-Y0771, NSC27897, s3961, STK299264, 3, 4 - Dimethoxy phenyl acetic acid, 3,4-Dimethoxyphenylacetic acid, 98%, 4,5-Dimethoxy-1,2-benzenacetic Acid, AKOS000119394, BS-4085, CCG-266554, CS-W020108, FD12596, alpha-(3,4-dimethoxyphenyl)acetic acid, IDI1_030158, AC-15716, KSC-11-262-2, SY006121, D0640, EU-0066571, NS00015120, EN300-17388, AK-968/41169417, Homoveratric acid, Vetec(TM) reagent grade, 98%, SR-01000596943, (3,4-Dimethoxyphenyl)acetic Acid(Homoveratric Acid), SR-01000596943-1, Q10395556, Z56924495, F0902-7631, 1000517-77-0, 202-244-5 |
|---|---|
| Topological Polar Surface Area | 55.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 14.0 |
| Description | Homoveratric acid is the main metabolite of 3,4-dimethoxyphenylethylamine (DMPEA) in urine. It has been suggested that DMPEA and other amines are in higher concentrations in drug-free schizophrenics than in normal subjects. DMPEA is a the di-methylated metabolite of L-DOPA, the major treatment for Parkinson's disease (PD). (PMID 7059639, 14311254, 588645, 10834300). Homoveratric acid is found in olive. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(3,4-dimethoxyphenyl)acetic acid |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | 1.0 |
| Superclass | Benzenoids |
| Subclass | Phenylacetic acid derivatives |
| Molecular Formula | C10H12O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | WUAXWQRULBZETB-UHFFFAOYSA-N |
| Fcsp3 | 0.3 |
| Rotatable Bond Count | 4.0 |
| State | Solid |
| Synonyms | (3,4-Dimethoxyphenyl)acetate, (3,4-Dimethoxyphenyl)acetic acid, 3, 4-(Dimethoxyphenyl) acetic acid, 3,4-(Dimethoxy)benzeneacetic acid, 3,4-(Dimethoxyphenyl) acetic acid, 3,4-Dimethoxybenzeneacetate, 3,4-Dimethoxybenzeneacetic acid, 3,4-dimethoxyphenyl Acetic Acid, 3,4-Dimethoxyphenylacetate, 3,4-Dimethoxyphenylacetic acid, Acetic acid, (3, 4-dimethoxyphenyl)-, Acetic acid, (3,4-dimethoxyphenyl)-, Benzeneacetic acid, 3,4-dimethoxy-, Homoveratrate |
| Substituent Name | O-dimethoxybenzene, Dimethoxybenzene, Phenylacetate, Methoxybenzene, Phenol ether, Anisole, Alkyl aryl ether, Monocarboxylic acid or derivatives, Ether, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic homomonocyclic compound |
| Compound Name | Homoveratric acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 196.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 196.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 196.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.708095257142857 |
| Inchi | InChI=1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12) |
| Smiles | COC1=C(C=C(C=C1)CC(=O)O)OC |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:cmaup_ingredients