1.0 2016-09-30 23:06:06 UTC 2020-05-21 16:28:47 UTC BMDB0003791 BMDB03791 3,4-Dihydroxyphenylacetaldehyde 3,4-Dihydroxyphenylacetaldehyde, also known as 3,4-dihydroxyphenylacetaldehyde or 3,4-dihydroxyphenylacetaldehyde, belongs to the class of organic compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. 3,4-Dihydroxyphenylacetaldehyde is possibly soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). 3,4-Dihydroxyphenylacetaldehyde exists in all living organisms, ranging from bacteria to humans. 3,4-Dihydroxyphenylacetaldehyde participates in a number of enzymatic reactions, within cattle. In particular, 3,4-Dihydroxyphenylacetaldehyde can be biosynthesized from dopamine; which is catalyzed by the enzyme amine oxidase [flavin-containing] a. In addition, 3,4-Dihydroxyphenylacetaldehyde can be converted into 3,4-dihydroxybenzeneacetic acid; which is mediated by the enzyme 3,4-dihydroxyphenylacetaldehyde. In cattle, 3,4-dihydroxyphenylacetaldehyde is involved in the metabolic pathway called the tyrosine metabolism pathway. 2-(3,4-Dihydroxyphenyl)ethanal DOPAL Protocatechuatealdehyde DHPAA aldehyde 3,4-Dihydroxy-benzeneacetaldehyde C8H8O3 152.1473 152.047344122 2-(3,4-dihydroxyphenyl)acetaldehyde dopal 5707-55-1 OC1=C(O)C=C(CC=O)C=C1 InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2 IADQVXRMSNIUEL-UHFFFAOYSA-N belongs to the class of organic compounds known as phenylacetaldehydes. Phenylacetaldehydes are compounds containing a phenylacetaldehyde moiety, which consists of a phenyl group substituted at the second position by an acetalydehyde. Organic compounds Benzenoids Benzene and substituted derivatives Phenylacetaldehydes Phenylacetaldehydes 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Alpha-hydrogen aldehydes Catechols Hydrocarbon derivatives Organic oxides 1-hydroxy-2-unsubstituted benzenoid 1-hydroxy-4-unsubstituted benzenoid Aldehyde Alpha-hydrogen aldehyde Aromatic homomonocyclic compound Carbonyl group Catechol Hydrocarbon derivative Organic oxide Organic oxygen compound Organooxygen compound Phenol Phenylacetaldehyde Aromatic homomonocyclic compounds a small molecule alpha-CH2-containing aldehyde catechols phenylacetaldehydes Solid logp 1.005 logp 1.15 ALOGPS logs -1.24 ALOGPS logp 0.85 ChemAxon pka_strongest_acidic 9.27 ChemAxon pka_strongest_basic -6.3 ChemAxon iupac 2-(3,4-dihydroxyphenyl)acetaldehyde ChemAxon average_mass 152.1473 ChemAxon mono_mass 152.047344122 ChemAxon smiles OC1=C(O)C=C(CC=O)C=C1 ChemAxon formula C8H8O3 ChemAxon inchi InChI=1S/C8H8O3/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,4-5,10-11H,3H2 ChemAxon inchikey IADQVXRMSNIUEL-UHFFFAOYSA-N ChemAxon polar_surface_area 57.53 ChemAxon refractivity 40.4 ChemAxon polarizability 14.78 ChemAxon rotatable_bond_count 2 ChemAxon acceptor_count 3 ChemAxon donor_count 2 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Tyrosine Metabolism SMP0087235 Specdb::MsIr 2064 Specdb::MsIr 2065 Specdb::MsIr 2066 Specdb::MsMs 19931 Specdb::MsMs 19932 Specdb::MsMs 19933 Specdb::MsMs 21482 Specdb::MsMs 21483 Specdb::MsMs 21484 Specdb::MsMs 2461312 Specdb::MsMs 2461313 Specdb::MsMs 2461314 Specdb::MsMs 2477363 Specdb::MsMs 2477364 Specdb::MsMs 2477365 Specdb::CMs 24620 Specdb::CMs 38654 Specdb::CMs 153813 Specdb::NmrOneD 34742 Specdb::NmrOneD 34743 Specdb::NmrOneD 34744 Specdb::NmrOneD 34745 Specdb::NmrOneD 34746 Specdb::NmrOneD 34747 Specdb::NmrOneD 34748 Specdb::NmrOneD 34749 Specdb::NmrOneD 34750 Specdb::NmrOneD 34751 Specdb::NmrOneD 34752 Specdb::NmrOneD 34753 Specdb::NmrOneD 34754 Specdb::NmrOneD 34755 Specdb::NmrOneD 34756 Specdb::NmrOneD 34757 Specdb::NmrOneD 34758 Specdb::NmrOneD 34759 Specdb::NmrOneD 34760 Specdb::NmrOneD 34761 FDB023227 106504 119219 C04043 C00052036 27978 3,4-Dihydroxyphenylacetaldehyde BMDBP00890 Amine oxidase [flavin-containing] A P21398 MAOA Enzyme