UCSF

ZINC05133378

Draw Identity 99% 90% 80% 70%

Substance Information

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

Other Names:

"Hydroquinone, 99.5%"

1,4-Benzendil; 1,4-Benzenediol; 1,4-Dihydroxy-benzeen [Dutch]; 1,4-Dihydroxy-benzol [German]; 1,4-Dihydroxybenzen [Czech]; 1,4-Dihydroxybenzene; 1,4-Diidrobenzene [Italian]; 1,4-Hydroxybenzene; 4-Hydroxyphenol; AI3-00072; Aida; Artra; Benzene, p-dihydroxy

1,4-Benzenediol

1,4-Benzenediol; 1,4-Dihydroxy-benzeen [Dutch]; 1,4-Dihydroxy-benzol [German]; 1,4-Dihydroxybenzen [Czech]; 1,4-Dihydroxybenzene; 1,4-Diidrobenzene [Italian]; 4-Hydroxyphenol; AI3-00072; Arctuvin; Artra; Benzene, p-dihydroxy-; Benzene-1,4-diol; Benzohydro

1,4-Benzenediol; 1,4-Dihydroxy-benzeen; 1,4-Dihydroxy-benzol; 1,4-Dihydroxybenzen; 1,4-Diidrobenzene; 4-Hydroxyphenol; a-Hydroquinone; alpha-Hydroquinone; b-Quinol; Benzene-1,4-diol; Benzohydroquinone; Benzoquinol; beta-Quinol; Dihydroquinone; Dihydroxybe

1,4-Benzenediol; 1,4-Dihydroxy-benzeen; 1,4-Dihydroxy-benzol; 1,4-Dihydroxybenzen; 1,4-Diidrobenzene; 4-Hydroxyphenol; Benzene-1,4-diol; Benzohydroquinone; Benzoquinol; Dihydroquinone; Dihydroxybenzene; Hydrochinon; Hydrochinone; Hydroquinol; Hydroquinole

1,4-Benzenediol; 1,4-Dihydroxybenzene; 123-31-9; 4-Hydroxyphenol; Benzene-1,4-diol; C00530; Hydroquinone; Quinol; p-Benzenediol

1,4-benzenediol; 123-31-9; benzene-1,4-diol; hydroquinol; hydroquinone

1,4-Benzenediol;1,4-Dihydroxy-benzeen;1,4-Dihydroxy-benzol;1,4-Dihydroxybenzen;1,4-Diidrobenzene;4-Hydroxyphenol;a-Hydroquinone;alpha-Hydroquinone;b-Quinol;Benzene-1,4-diol;Benzohydroquinone;Benzoquinol;beta-Quinol;Dihydroquinone;Dihydroxybenzene;Hydrochi

1,4-Benzenediol;1,4-Dihydroxy-benzeen;1,4-Dihydroxy-benzol;1,4-Dihydroxybenzen;1,4-Diidrobenzene;4-Hydroxyphenol;Benzene-1,4-diol;Benzohydroquinone;Benzoquinol;Dihydroquinone;Dihydroxybenzene;Hydrochinon;Hydrochinone;Hydroquinol;Hydroquinole;Hydroquinone

1,4-benzosemiquinone

1,4-Cyclohexanediol

1,4-Cyclohexanediol, cis + trans

1,4-Cyclohexanediol, cis + trans, 98%

1,4-Dihydroxybenzene

1,4-Dihydroxycyclohexane

1-hydroxy-4-oxocyclohexa-2,5-dien-1-yl; 4-hydroxyphenyloxyl; hydroquinone radical; p-benzosemiquinone radical; semiquinone radical

123-31-9; D00073; Eldoquin (TN); Hydroquinone (USP)

4-Hydroxyphenoxy radical; C02389; p-Benzosemiquinone

Accutin

benzene-1,4-diol

benzosemiquinone

CHEBI:14416; CHEBI:24645; CHEBI:5793

CHEBI:3035; CHEBI:13881; CHEBI:25820

DNC000142

DNC000750

Eldoquin; hydroquinone; p-hydroxyphenol

Hexahydrohydroquinone

Hydroquinone (FDA

Hydroquinone, 99%

Hydroquinone, 99.5%

HYDROQUINONE, [14C(U)]

HYDROQUINONE,[14C ]

Hydroquinone;Quinol

MFCD00001448

MFCD00002339

MFCD00010310

p-Benzoquinone hydroquinone complex

PotassiuM Hydroquinone Monosulfate

PotassiuMHydroquinoneMonosulfate

Quinhydrone

Quinhydrone, 97%

Quinol

Quinolsulfate

SOLAQUIN FORTE

USP)

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

Physical Representations

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 ↓

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
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
ChEMBL Target Annotations
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

Reactome Annotations from Targets (via Uniprot)

Description Species
Erythrocytes take up carbon dioxide and release oxygen
Erythrocytes take up oxygen and release carbon dioxide
Reversible hydration of carbon dioxide

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.