| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 23rd, 2006 | 8 | Yes |
Popular Name: Hydroquinone Hydroquinone
Find On: PubMed — Wikipedia — Google
CAS Numbers: 106-34-3 , 106817-54-3 , 123-31-9 , 128-37-0 , 17438-29-8 , 25294-85-3 , 37067-27-9 , 556-48-9 , N/A
1,4-benzenediol; 123-31-9; benzene-1,4-diol; hydroquinol; hydroquinone
1,4-Cyclohexanediol, cis + trans
1,4-Cyclohexanediol, cis + trans, 98%
123-31-9; D00073; Eldoquin (TN); Hydroquinone (USP)
4-Hydroxyphenoxy radical; C02389; p-Benzosemiquinone
CHEBI:14416; CHEBI:24645; CHEBI:5793
CHEBI:3035; CHEBI:13881; CHEBI:25820
Eldoquin; hydroquinone; p-hydroxyphenol
p-Benzoquinone hydroquinone complex
PotassiuM Hydroquinone Monosulfate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 0.98 | -1.23 | -4.89 | 2 | 2 | 0 | 40 | 110.112 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 149-151?/20mm | Alfa-Aesar |
| Boiling_Point | 149-151°/20mm | Alfa-Aesar |
| Melting_Point | 168-171? | Alfa-Aesar |
| Melting_Point | 168-171° | Alfa-Aesar |
| Mp [°C] | 170 - 174 | Acros Organics |
| Melting_Point | 170-172? | Alfa-Aesar |
| Melting_Point | 170-172° | Alfa-Aesar |
| MP | 173 | TCI |
| MP | 174 - 177 | Enamine Building Blocks |
| MP | 174...177 | Enamine Building Blocks |
| BP [°C] | 285 - 287 | Acros Organics |
| Boiling_Point | 285-287? | Alfa-Aesar |
| Boiling_Point | 285-287° | Alfa-Aesar |
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
| Melting_Point | 98-103? | Alfa-Aesar |
| Melting_Point | 98-103° | Alfa-Aesar |
| Purity | 99% | Fluorochem |
| Therapy | antioxidant | SMDC Pharmakon |
| UniProt Database Links | APPB_ECOLI; APPC_ECOLI; CYB_SULAC; DHGL_DROME; DHGL_DROPS; ENOX1_HUMAN; ENOX2_HUMAN; ENOX2_MOUSE; FDNG_ECOLI; FIXN_AGRT7; FIXN_AZOC5; FIXN_BRADU; FIXN_RHIME; FRD2_SHEFN; FRDA_ECOLI; FRDA_HAEIN; FRDA_HELPJ; FRDA_HELPY; FRDA_MYCBO; FRDA_MYCTU; FRDA_PROVU; F | ChEBI |
| therap | depigmentor, antioxidant | MicroSource Spectrum |
| Target | DNA fragmentation factor subunit beta(O76075)&Caveolin-1(Q03135)&Caveolin-2(P51636)&Nuclear receptor subfamily 1 group I member 2(O75469) | Herbal Ingredients Targets |
| Patent Database Links | EP0809147; EP0819683; EP0899611; EP0902017; EP1164418; EP1241163; EP1314733; EP1359149; EP1428831; EP1548021; EP1561476; EP1570846; EP1577297; EP1579860; EP1595936; EP1607097; EP1639994; EP1659110; EP1685843; EP1686118; EP1710239; EP1738747; EP1760072; EP | ChEBI |
| H phrase | H318: Causes serious eye damage | Acros Organics |
| H phrase | H318: Causes serious eye damage; H341: Suspected of causing genetic defects; H317: May cause an allergic skin reaction; H351: Suspected of causing cancer; H302: Harmful if swallowed; H400: Very toxic to aquatic life | Acros Organics |
| UniProt Database Links | LAC10_ARATH; LAC10_ORYSJ; LAC11_ARATH; LAC11_ORYSJ; LAC12_ARATH; LAC12_ORYSJ; LAC13_ARATH; LAC14_ARATH; LAC14_ORYSJ; LAC15_ARATH; LAC15_ORYSJ; LAC16_ARATH; LAC16_ORYSJ; LAC17_ARATH; LAC17_ORYSJ; LAC18_ORYSI; LAC18_ORYSJ; LAC19_ORYSI; LAC19_ORYSJ; LAC1B_CE | ChEBI |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection | Acros Organics |
| P phrase | P280: Wear protective gloves/protective clothing/eye protection/face protection; P312: Call a POISON CENTER or doctor/physician if you feel unwell; P302 + P350: IF ON SKIN: Gently wash with plenty of soap and water; P305 + P351 + P338: IF IN EYES: Rinse c | Acros Organics |
| R phrase | R22: Harmful if swallowed. | Acros Organics |
| R phrase | R22: Harmful if swallowed.; R40: Limited evidence of a carcinogenic effect.; R41: Risk of serious damage to eyes.; R43: May cause sensitisation by skin contact.; R50: Very toxic to aquatic organisms.; R68: Possible risks of irreversible effects. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. | Acros Organics |
| S phrase | S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.; S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.; S61: Avoid release to the environment. Refer to special instructions / safet | Acros Organics |
| Hazard | XN: Harmful | Acros Organics |
| Hazard | XN: Harmful; N: Dangerous for the environment | Acros Organics |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH12-9-E | Carbonic Anhydrase XII (cluster #9 Of 9), Eukaryotic | Eukaryotes | 7800 | 0.89 | Binding ≤ 10μM |
| CAH2-5-E | Carbonic Anhydrase II (cluster #5 Of 15), Eukaryotic | Eukaryotes | 90 | 1.23 | Binding ≤ 10μM |
| CAH3-1-E | Carbonic Anhydrase III (cluster #1 Of 6), Eukaryotic | Eukaryotes | 8200 | 0.89 | Binding ≤ 10μM |
| Q2PCB5-2-E | Carbonic Anhydrase (cluster #2 Of 2), Eukaryotic | Eukaryotes | 5930 | 0.91 | Binding ≤ 10μM |
| TYRO-3-F | Tyrosinase (cluster #3 Of 8), Fungal | Fungi | 9810 | 0.88 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 90 | 1.23 | Binding ≤ 1μM |
| Q2PCB5_DICLA | Q2PCB5 | Carbonic Anhydrase, Dicla | 5930 | 0.91 | Binding ≤ 10μM |
| CAH2_HUMAN | P00918 | Carbonic Anhydrase II, Human | 90 | 1.23 | Binding ≤ 10μM |
| CAH3_HUMAN | P07451 | Carbonic Anhydrase III, Human | 8200 | 0.89 | Binding ≤ 10μM |
| CAH12_HUMAN | O43570 | Carbonic Anhydrase XII, Human | 7800 | 0.89 | Binding ≤ 10μM |
| TYRO_AGABI | O42713 | Tyrosinase, Agabi | 9810 | 0.88 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Erythrocytes take up carbon dioxide and release oxygen | |
| Erythrocytes take up oxygen and release carbon dioxide | |
| Reversible hydration of carbon dioxide |
No pre-computed analogs available. Try a structural similarity search.