3,4-Dihydroxyphenylglycol
PubChem CID: 91528
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| Compound Synonyms | 28822-73-3, 3,4-Dihydroxyphenylglycol, 4-(1,2-dihydroxyethyl)benzene-1,2-diol, DOPEG, dl-3,4-Dihydroxyphenylglycol, 3343-19-9, 3,4-Dihydroxyphenylethyleneglycol, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, Dihydroxyphenylethylene glycol, DL-3,4-Dihydroxyphenyl glycol, rac 3,4-Dihydroxyphenylethylene Glycol, 3,4-dihydroxyphenethyl glycol, 3,4-dihydroxyphenylethyl glycol, EINECS 249-260-9, (3,4-dihydroxyphenyl)ethylene glycol, NSC 92532, UEH9K539KJ, (3,4-Dihydroxyphenyl)glycol, (1)-4-(1,2-Dihydroxyethyl)pyrocatechol, 1-(3,4-dihydroxyphenyl)-1,2-ethanediol, 1-(3,4-Dihydroxyphenyl)ethane-1,2-diol, 4-(1,2-Dihydroxyethyl)-1,2-benzenediol, CHEBI:1387, 3,4-Dihydroxyphenylglycol, DL-, (+-)-3,4-Dihydroxyphenylglycol, (+/-)-3,4-Dihydroxyphenylglycol, Ba 2775, NSC-92532, beta,3,4-trihydroxy phenethyl alcohol, 2-hydroxy-2-(3,4-dihydroxy)phenylethanol, rac 3,4-Dihydroxyphenylethylene Glycol-d3, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, (-)-, 3,4Dihydroxyphenylglycol, UNII-UEH9K539KJ, SCHEMBL141609, Phenylglycol, 3,4-dihydroxy-, DTXSID20865451, NSC92532, 1(3,4Dihydroxyphenyl)ethane1,2diol, AKOS003368780, AKOS016843225, BA-2775, CS-W010782, FD42571, HY-W010066, DHPG (3,4-DIHYDROXYPHENYLGLYCOL), MS-22923, DB-047467, NS00014708, 3,4-DIHYDROXYPHENYLGLYCOL, (+/-)-, C05576, F85606, EN300-1855459, Q262270, 1,2-Benzenediol, 4-(1,2-dihydroxyethyl)-, (.+/-.)-, 1,2-Ethanediol, 1-(3,4-dihydroxyphenyl)-, (.+/-.)-, 4740838A-79C1-450B-827D-A3B2F61834F4 |
|---|---|
| Topological Polar Surface Area | 80.9 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 12.0 |
| Pathway Kegg Map Id | map00350 |
| Description | 3,4-Dihydroxyphenylglycol (DOPEG) is a normal norepinephrine metabolite present in CSF, plasma and urine in humans (PMID 6875564). In healthy individuals there is a tendency for free DOPEG to increase and for conjugated DOPEG to decrease with age, plasmatic DOPEG levels are significantly lower in depressed patients as compared to healthy controls (PMID 6671452). DL-1-(3,4-Dihydroxyphenyl)-1,2-ethanediol is found in olive. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P21964, P08319, P11766, P00325, P40394, P07327, P28332, P00326 |
| Iupac Name | 4-(1,2-dihydroxyethyl)benzene-1,2-diol |
| Prediction Hob | 1.0 |
| Class | Benzene and substituted derivatives |
| Xlogp | -1.0 |
| Superclass | Benzenoids |
| Subclass | Phenols and derivatives |
| Molecular Formula | C8H10O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MTVWFVDWRVYDOR-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Logs | -3.007 |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Logd | 2.76 |
| Synonyms | (3,4-Dihydroxyphenyl)ethylene glycol, 1-(3,4-Dihydroxyphenyl)-1,2-ethanediol, 2-Hydroxy-2-(3,4-dihydroxy)phenylethanol, 3,4-Dihydroxyphenethyl glycol, 3,4-Dihydroxyphenylethyl glycol, 3,4-Dihydroxyphenylethyleneglycol, 3,4-Dihydroxyphenylglycol, 4-(1,2-Dihydroxyethyl)-1,2-benzenediol, 4-(1,2-Dihydroxyethyl)-1,2-benzenediol, 9CI, b,3,4-Trihydroxy phenethyl alcohol, beta,3,4-Trihydroxy phenethyl alcohol, DHPG, Dihydroxyphenylethylene glycol, DL-3,4-Dihydroxyphenylglycol, DOPEG, β,3,4-trihydroxy phenethyl alcohol, Β,3,4-trihydroxy phenethyl alcohol, Dihydroxyphenylethylene glycol, (+-)-isomer, Dihydroxyphenylethylene glycol, (S)-isomer, Dihydroxyphenylglycine |
| Substituent Name | 1,2-diphenol, Benzyl alcohol, Secondary alcohol, 1,2-diol, Hydrocarbon derivative, Aromatic alcohol, Primary alcohol, Organooxygen compound, Alcohol, Aromatic homomonocyclic compound |
| Compound Name | 3,4-Dihydroxyphenylglycol |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 170.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.058 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 170.16 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Esol | -0.49671679999999996 |
| Inchi | InChI=1S/C8H10O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-3,8-12H,4H2 |
| Smiles | C1=CC(=C(C=C1C(CO)O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Catechols |
- 1. Outgoing r'ship
FOUND_INto/from Olea Europaea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Pogostemon Auricularis (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Pogostemon Auricularius (Plant) Rel Props:Reference: - 4. Outgoing r'ship
FOUND_INto/from Pogostemon Benghalense (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Pogostemon Benghalensis (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Pogostemon Heyneanus (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Pogostemon Paniculatus (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Pogostemon Parviflorus (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Pogostemon Patchouli (Plant) Rel Props:Reference: - 11. Outgoing r'ship
FOUND_INto/from Pogostemon Plectranthoides (Plant) Rel Props:Reference: - 12. Outgoing r'ship
FOUND_INto/from Pogostemon Pubescens (Plant) Rel Props:Reference: - 13. Outgoing r'ship
FOUND_INto/from Pogostemon Purpurascens (Plant) Rel Props:Reference: - 14. Outgoing r'ship
FOUND_INto/from Pogostemon Rugosus (Plant) Rel Props:Reference: - 15. Outgoing r'ship
FOUND_INto/from Pogostemon Stellatus (Plant) Rel Props:Reference: - 16. Outgoing r'ship
FOUND_INto/from Pogostemon Vestitus (Plant) Rel Props:Reference: