DHY

2-(3,4-DIHYDROXYPHENYL)ACETIC ACID

Created: 1999-07-08
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count20
Chiral Atom Count0
Bond Count20
Aromatic Bond Count6
2D diagram of DHY
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Chemical Component Summary

Name2-(3,4-DIHYDROXYPHENYL)ACETIC ACID
Systematic Name (OpenEye OEToolkits)2-(3,4-dihydroxyphenyl)ethanoic acid
FormulaC8 H8 O4
Molecular Weight168.147
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)Cc1cc(O)c(O)cc1
SMILESCACTVS3.341OC(=O)Cc1ccc(O)c(O)c1
SMILESOpenEye OEToolkits1.5.0c1cc(c(cc1CC(=O)O)O)O
Canonical SMILESCACTVS3.341 OC(=O)Cc1ccc(O)c(O)c1
Canonical SMILESOpenEye OEToolkits1.5.0 c1cc(c(cc1CC(=O)O)O)O
InChIInChI1.03 InChI=1S/C8H8O4/c9-6-2-1-5(3-7(6)10)4-8(11)12/h1-3,9-10H,4H2,(H,11,12)
InChIKeyInChI1.03 CFFZDZCDUFSOFZ-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank IDDB01702 
Name2-(3,4-Dihydroxyphenyl)Acetic Acid
Groups experimental
DescriptionA deaminated metabolite of levodopa. [PubChem]
Synonyms2-(3,4-Dihydroxyphenyl)Acetic Acid
CAS number102-32-9

Drug Targets

NameTarget SequencePharmacological ActionActions
Penicillin G acylaseMKNRNRMIVNCVTASLMYYWSLPALAEQSSSEIKIVRDEYGMPHIYANDT...unknown
Protocatechuate 3,4-dioxygenase alpha chainMPIELLPETPSQTAGPYVHIGLALEAAGNPTRDQEIWNRLAKPDAPGEHI...unknown
Protocatechuate 3,4-dioxygenase beta chainMPAQDNSRFVIRDRNWHPKALTPDYKTSIARSPRQALVSIPQSISETTGP...unknown
DNA-unknown
3,4-dihydroxyphenylacetate 2,3-dioxygenaseMTNFVPTPSVPAPDIVRCAYMEIVVTDLAKSREFYVDVLGLHVTEEDENT...unknown
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Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 547
ChEMBL CHEMBL1284
ChEBI CHEBI:41941
CCDC/CSD NELTON, LAHHEL
COD 2200548