Compound: 3,4-Dihydroxyphenylacetic acid
SMILES: O=C(O)Cc1cc(O)c(O)cc1
InChIKey: CFFZDZCDUFSOFZ-UHFFFAOYSA-N
Synonyms: 3,4-Dihydroxyphenylacetic acid, 102-32-9, Dopac, 2-(3,4-DIHYDROXYPHENYL)ACETIC ACID, Homoprotocatechuic acid, Dopacetic acid, Benzeneacetic acid, 3,4-dihydroxy-, Acetic acid, (3,4-dihydroxyphenyl)-, BA 2773, KEX5N0R4N5, NSC-73191, DTXSID9074430, HMDB01336, 3,4 Dihydroxyphenylacetic Acid, RefChem:486240, DTXCID3032676, 203-024-1, 3,4-Dihydroxybenzeneacetic acid, Dihydroxyphenylacetic acid, (3,4-DIHYDROXYPHENYL)ACETIC ACID, MFCD00004338, 3,4-Dihydroxy-phenylacetic acid, Lopac-D-9128, 3,4-DHPOP, MLS001056737, 3,4-dihydroxyphenyl acetic acid, 4-Carboxymethylcatechol, SMR000326727, DHY, 3,4-Dihydroxyphenylacetate, XV, 3,4-DIHYDROXYPHENYLACETICACID, CCRIS 3765, EINECS 203-024-1, NSC 73191, 4-Carboxymethylpyrocatechol, UNII-KEX5N0R4N5, BRN 2211017, Dopacetate, AI3-52339, 3pcn, Dihydroxyphenylacetate, Dopamine Impurity 8, 1ai4, Catechol-4-acetic Acid, cid_547, bmse000329, Pyrocatechol-4-acetic Acid, 3,4-Dihydroxybenzeneacetate, CHEMBL1284, NCIOpen2_000518, Lopac0_000414, SCHEMBL36348, 34-Dihydroxyphenylacetic Acid, orb1302459, orb3141291, SCHEMBL7469913, Benzeneacetic acid,4-dihydroxy-, SCHEMBL14764387, SCHEMBL29382155, Acetic acid,4-dihydroxyphenyl)-, BDBM52946, CHEBI:41941, 3,4-dihydroxy-Benzeneacetic acid, 3,4-dihydroxyl phenylacetic acid, HMS2233I20, HMS3261C10, HMS3373A01, KUC106695N, KUC106697N, (3,4-dihydroxyphenyl)-Acetic acid, HY-W001080R, KCA69639, NSC73191, Tox21_500414, EBC-04071, s5639, SBB064931, 3,4-Dihydroxyphenylacetic acid, 98%, 3,4-DIHYDROXYPHENYLCAETIC ACID, AKOS015890264, MSK70004-100M, AC-5292, CCG-204506, CS-W001080, DB01702, FD32994, HY-W001080, LP00414, RS-1018, SDCCGSBI-0050399.P002, Acetic acid, (3,4-dihydroxyphenyl)-,, 3,4-DIHYDROXY BENZENEACETIC ACID, acetic acid, 2-(3,4-dihydroxyphenyl)-, NCGC00015381-01, NCGC00015381-02, NCGC00015381-03, NCGC00015381-04, NCGC00015381-05, NCGC00015381-06, NCGC00093838-01, NCGC00093838-02, NCGC00093838-03, NCGC00261099-01, HAA, KSC-11-207-5, KSC-11-207-8, SY015718, 2-[3,4-bis(oxidanyl)phenyl]ethanoic acid, 3,4-Dihydroxybenzeneacetic acid (Standard), D1283, EU-0100414, NS00014707, ST45026883, C01161, D 9128, EN300-111909, F092681, SR-01000075841, 3,4-Dihydroxyphenylacetic acid, analytical standard, Q4634071, SR-01000075841-1, Z1255438427, 47115C80-8C82-419A-BC51-B10A2CB7FE8F, 3,4-Dihydroxyphenylacetic acid Solution in Methanol, 100ug/mL, InChI=1/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12
Theoretical properties:
molecular_formula: C8H8O4
molecular_weight: 168.15 g/mol
exact_mass: 168.04225873 g/mol
formal_charge: 0
hydrogen_bond_donor_count: 3
hydrogen_bond_acceptor_count: 4
rotatable_bond_count: 2
heavy_atom_count: 12
topological_polar_surface_area: 77.8 Å²
isotope_atom_count: 0
covalently_bonded_unit_count: 1
Physical properties:
solubility: 4 mg/mL
vapor_pressure: 0.00000082 [mmHg]
Descriptions:
pubchem: (3,4-dihydroxyphenyl)acetic acid is a dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine. It has a role as a human metabolite. It is a member of catechols and a dihydroxyphenylacetic acid. It is functionally related to a phenylacetic acid. It is a conjugate acid of a (3,4-dihydroxyphenyl)acetate.
chebi: A dihydroxyphenylacetic acid having the two hydroxy substituents located at the 3- and 4-positions. It is a metabolite of dopamine.
chembl: 3,4-DIHYDROXYPHENYLACETIC ACID  is a small molecule listed in the ChEMBL database but has not progressed to an approved clinical phase.
wikipedia: 3,4-Dihydroxyphenylacetic acid (DOPAC) is a metabolite of the neurotransmitter dopamine.  Dopamine can be metabolized into one of three substances. One such substance is DOPAC. Another is 3-methoxytyramine (3-MT). Both of these substances are degraded to form homovanillic acid (HVA). Both degradations involve the enzymes monoamine oxidase (MAO) and catechol-O-methyl transferase (COMT), albeit in reverse order: MAO catalyzes dopamine to DOPAC, and COMT catalyzes DOPAC to HVA; whereas COMT catalyzes dopamine to 3-MT and MAO catalyzes 3-MT to HVA. The third metabolic end-product of dopamine is norepinephrine (noradrenaline).

It can also be found in the bark of Eucalyptus globulus.
This product has been synthesized (52% yield) from 4-hydroxyphenylacetic acid via aerobic biotransformation using whole cell cultures of Arthrobacter protophormiae.