6EU

resiniferatoxin

Created:	2016-03-23
Last modified:	2021-03-01

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28 entries where 6EU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	86
Chiral Atom Count	8
Bond Count	92
Aromatic Bond Count	12

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Chemical Component Summary
Name	resiniferatoxin
Synonyms	RTX
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₃₇ H₄₀ O₉
Molecular Weight	628.708
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	COc1cc(ccc1O)CC(=O)OCC=3CC2(C(C=C(C2=O)C)C54C(C=3)C6C(CC4C)(OC(O5)(O6)Cc7ccccc7)\C(=C)C)O
SMILES	CACTVS	3.385	COc1cc(CC(=O)OCC2=C[CH]3[CH]4O[C]5(Cc6ccccc6)O[C]4(C[CH](C)[C]3(O5)[CH]7C=C(C)C(=O)[C]7(O)C2)C(C)=C)ccc1O
SMILES	OpenEye OEToolkits	2.0.4	CC1CC2(C3C4C1(C5C=C(C(=O)C5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)OC(O3)(O2)Cc7ccccc7)C(=C)C
Canonical SMILES	CACTVS	3.385	COc1cc(CC(=O)OCC2=C[C@H]3[C@H]4O[C@]5(Cc6ccccc6)O[C@]4(C[C@@H](C)[C@]3(O5)[C@@H]7C=C(C)C(=O)[C@@]7(O)C2)C(C)=C)ccc1O
Canonical SMILES	OpenEye OEToolkits	2.0.4	C[C@@H]1C[C@]2([C@H]3[C@H]4[C@]1([C@@H]5C=C(C(=O)[C@]5(CC(=C4)COC(=O)Cc6ccc(c(c6)OC)O)O)C)O[C@](O3)(O2)Cc7ccccc7)C(=C)C
InChI	InChI	1.03	InChI=1S/C37H40O9/c1-21(2)35-17-23(4)37-27(33(35)44-36(45-35,46-37)19-24-9-7-6-8-10-24)14-26(18-34(41)30(37)13-22(3)32(34)40)20-43-31(39)16-25-11-12-28(38)29(15-25)42-5/h6-15,23,27,30,33,38,41H,1,16-20H2,2-5H3/t23-,27+,30-,33-,34-,35-,36-,37-/m1/s1
InChIKey	InChI	1.03	DSDNAKHZNJAGHN-MXTYGGKSSA-N

Drug Info: DrugBank

DrugBank ID	DB06515
Name	Resiniferatoxin
Groups	investigational
Description	Resiniferatoxin (RTX) is a naturally occurring, ultrapotent capsaicin analog that activates the vanilloid receptor in a subpopulation of primary afferent sensory neurons involved in nociception (the transmission of physiological pain).
Synonyms	Resiniferatoxin RTX
Indication	Investigated for use/treatment in interstitial cystitis and urinary incontinence.
Categories	Neurotoxins Terpenes
CAS number	57444-62-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Transient receptor potential cation channel subfamily V member 1	MKKWSSTDLGAAADPLQKDTCPDPLDGDPNSRPPPAKPQLSTAKSRTRLF...	unknown	activator

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