RHQ

RHODAMINE 6G

Created:	2001-09-12
Last modified:	2012-01-05

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15 entries where RHQ is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	64
Chiral Atom Count	0
Bond Count	67
Aromatic Bond Count	23

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Chemical Component Summary
Name	RHODAMINE 6G
Systematic Name (OpenEye OEToolkits)	(Z)-[9-(2-ethoxycarbonylphenyl)-6-ethylamino-2,7-dimethyl-xanthen-3-ylidene]-ethyl-azanium
Formula	C₂₈ H₃₁ N₂ O₃
Molecular Weight	443.557
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(OCC)c4ccccc4C=1c3c(OC=2C=1C=C(\C(=[NH+]/CC)C=2)C)cc(c(c3)C)NCC
SMILES	CACTVS	3.385	CCNc1cc2OC3=CC(=[NH+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
SMILES	OpenEye OEToolkits	1.7.5	CCNc1cc2c(cc1C)C(=C3C=C(C(=[NH+]CC)C=C3O2)C)c4ccccc4C(=O)OCC
Canonical SMILES	CACTVS	3.385	CCNc1cc2OC3=CC(=[NH+]CC)C(=CC3=C(c4ccccc4C(=O)OCC)c2cc1C)C
Canonical SMILES	OpenEye OEToolkits	1.7.5	CCNc1cc2c(cc1C)C(=C3C=C(/C(=[NH+]\CC)/C=C3O2)C)c4ccccc4C(=O)OCC
InChI	InChI	1.03	InChI=1S/C28H30N2O3/c1-6-29-23-15-25-21(13-17(23)4)27(19-11-9-10-12-20(19)28(31)32-8-3)22-14-18(5)24(30-7-2)16-26(22)33-25/h9-16,29H,6-8H2,1-5H3/p+1/b30-24-
InChIKey	InChI	1.03	IWWWBRIIGAXLCJ-KRUMMXJUSA-O

Drug Info: DrugBank

DrugBank ID	DB03825
Name	Rhodamine 6G
Groups	experimental
Synonyms	CI basic red 1 Calcozine rhodamine 6GX Rhodamine 6G Basic red 1 R6G
Categories	Antineoplastic Agents Coloring Agents Compounds used in a research, industrial, or household setting Fluorescent Dyes Heterocyclic Compounds, Fused-Ring Indicators and Reagents Laboratory Chemicals Luminescent Agents P-glycoprotein substrates Xanthenes
CAS number	989-38-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
HTH-type transcriptional regulator QacR	MNLKDKILGVAKELFIKNGYNATTTGEIVKLSESSKGNLYYHFKTKENLF...	unknown
Acriflavine resistance protein B	MPNFFIDRPIFAWVIAIIIMLAGGLAILKLPVAQYPTIAPPAVTISASYP...	unknown
Multidrug resistance-associated protein 1	MALRGFCSADGSDPLWDWNVTWNTSNPDFTKCFQNTVLVWVPCFYLWACF...	unknown	substrate
P-glycoprotein 1	MDLEGDRNGGAKKKNFFKLNNKSEKDKKEKKPTVSVFSMFRYSNWLDKLY...	unknown	substrate

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