TTO

(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM

Created: 2001-02-01
Last modified:  2011-06-04

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Chemical Details

Formal Charge1
Atom Count47
Chiral Atom Count0
Bond Count50
Aromatic Bond Count24
2D diagram of TTO
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Chemical Component Summary

Name(3,4-DIHYDROXY-PHENYL)-TRIPHENYL-ARSONIUM
Systematic Name (OpenEye OEToolkits)(3,4-dihydroxyphenyl)-triphenyl-arsanium
FormulaC24 H20 As O2
Molecular Weight415.336
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04Oc1cc(ccc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILESCACTVS3.341Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O
Canonical SMILESCACTVS3.341 Oc1ccc(cc1O)[As+](c2ccccc2)(c3ccccc3)c4ccccc4
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)[As+](c2ccccc2)(c3ccccc3)c4ccc(c(c4)O)O
InChIInChI1.03 InChI=1S/C24H19AsO2/c26-23-17-16-22(18-24(23)27)25(19-10-4-1-5-11-19,20-12-6-2-7-13-20)21-14-8-3-9-15-21/h1-18H,(H-,26,27)/p+1
InChIKeyInChI1.03 AYGYLFIDAXGERM-UHFFFAOYSA-O

Drug Info: DrugBank

DrugBank IDDB02086 
Name(3,4-Dihydroxy-Phenyl)-Triphenyl-Arsonium
Groups experimental
Synonyms(3,4-Dihydroxy-Phenyl)-Triphenyl-Arsonium

Drug Targets

NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARASVLSGGELDKWEKIRLRPGGKKQYKLKHIVWASRELERFAVNPGL...unknown
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 5460502
ChEBI CHEBI:30287