Dopamine
precursor
Showing entry for Dopamine
Identification
- PhytoHub ID
- PHUB000775
- Name
- Dopamine
- Systematic Name
- Not Available
- Synonyms
- 3-Hydroxytyramine
- 3,4-Dihydroxyphenethylamine
- 4-(2-Aminoethyl)benzene-1,2-diol
- 4-(2-Aminoethyl)pyrocatechol
- CAS Number
- Not Available
- Average Mass
- 153.181
- Monoisotopic Mass
- 153.078978598
- Chemical Formula
- C8H11NO2
- IUPAC Name
- 4-(2-aminoethyl)benzene-1,2-diol
- InChI Key
- VYFYYTLLBUKUHU-UHFFFAOYSA-N
- InChI Identifier
InChI=1S/C8H11NO2/c9-4-3-6-1-2-7(10)8(11)5-6/h1-2,5,10-11H,3-4,9H2
- SMILES
NCCC1=CC(O)=C(O)C=C1
- Structure
Structure for Dopamine
Calculated Properties
- Solubility (ALOGPS)
- 7.43e+00 g/l
- LogS (ALOGPS)
- -1.31
- LogP (ALOGPS)
- -0.40
- Hydrogen Acceptors
- 3
- Hydrogen Donors
- 3
- Rotatable Bond Count
- 2
- Polar Surface Area
- 66.48
- Refractivity
- 43.2482
- Polarizability
- 16.21092686800735
- Formal Charge
- 0
- Physiological Charge
- 1
- pKa (strongest basic)
- 9.271456202535882
- pKa (strongest acidic)
- 10.007776384659529
- Number of Rings
- 1
- Rule of Five
- Yes
- Bioavailability
- Yes
- Ghose Filter
- No
- Veber's Rule
- No
- MDDR-like Rule
- No
External Links
- ChEBI
- 18243
- PubChem
- 681
- Chemistry Dashboard
- DTXSID6022420
- KNApSAcK
- C00001408
- MetaboLights
- MTBLC18243
- FooDB (Compounds)
- FDB012163
- PeakForestCompound
- 000600
Taxonomy as Food Phytochemical
- Family
- N-containing compounds
- Class
- Amines
- Sub-class
- Not Available
Classyfire Taxonomy
- Kingdom Name
- Organic compounds
- Class
- Phenols
- Super-class
- Benzenoids
- Sub-class
- Benzenediols
- Direct Parent Name
- Catecholamines and derivatives
- Alternative Parent Names
- ["1-hydroxy-2-unsubstituted benzenoids", "1-hydroxy-4-unsubstituted benzenoids", "2-arylethylamines", "Aralkylamines", "Hydrocarbon derivatives", "Monoalkylamines", "Organooxygen compounds", "Organopnictogen compounds", "Phenethylamines"]
- External Descriptor Annotations
- ["Biogenic amines", "Dopamine", "Tyramine derivatives", "catecholamine"]
- Substituent Names
- ["1-hydroxy-2-unsubstituted benzenoid", "1-hydroxy-4-unsubstituted benzenoid", "2-arylethylamine", "Amine", "Aralkylamine", "Aromatic homomonocyclic compound", "Catecholamine", "Hydrocarbon derivative", "Monocyclic benzene moiety", "Organic nitrogen compound", "Organic oxygen compound", "Organonitrogen compound", "Organooxygen compound", "Organopnictogen compound", "Phenethylamine", "Primary aliphatic amine", "Primary amine"]
Spectra from Phytohub
Food Sources
Role as Biomarker of intake
No roles as Biomarker of intake found