RDC

RADICICOL

Created:	1999-07-08
Last modified:	2020-06-05

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9 entries where RDC is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	3
Bond Count	44
Aromatic Bond Count	6

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Chemical Component Summary
Name	RADICICOL
Synonyms	MONORDEN
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₈ H₁₇ Cl O₆
Molecular Weight	364.777
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2C=CC=CC3OC3CC(OC(=O)c1c(O)cc(O)c(Cl)c1C2)C
SMILES	CACTVS	3.341	C[CH]1C[CH]2O[CH]2C=CC=CC(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1
SMILES	OpenEye OEToolkits	1.5.0	CC1CC2C(O2)C=CC=CC(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1
Canonical SMILES	CACTVS	3.341	C[C@@H]1C[C@H]2O[C@@H]2\C=C/C=C/C(=O)Cc3c(Cl)c(O)cc(O)c3C(=O)O1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1C[C@@H]2[C@H](O2)\C=C/C=C/C(=O)Cc3c(c(cc(c3Cl)O)O)C(=O)O1
InChI	InChI	1.03	InChI=1S/C18H17ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h2-5,8-9,14-15,21-22H,6-7H2,1H3/b4-2+,5-3-/t9-,14-,15-/m1/s1
InChIKey	InChI	1.03	WYZWZEOGROVVHK-GTMNPGAYSA-N

Drug Info: DrugBank

DrugBank ID	DB03758
Name	Radicicol
Groups	experimental
Synonyms	Radicicol Monorden
Categories	Anti-Infective Agents Antifungal Agents Antiparasitic Agents Antiprotozoals Enzyme Inhibitors Lactones Polyketides Tyrosine Kinase Inhibitors
CAS number	12772-57-5

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Heat shock protein HSP 90-alpha	MPEETQTQDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELIS...	unknown	inhibitor
Heat shock protein HSP 90-beta	MPEEVHHGEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNASDA...	unknown
Endoplasmin	MRALWVLGLCCVLLTFGSVRADDEVDVDGTVEEDLGKSREGSRTDDEVVQ...	unknown
Dihydrolipoyllysine-residue acetyltransferase component of pyruvate dehydrogenase complex, mitochondrial	MWRVCARRAQNVAPWAGLEARWTALQEVPGTPRVTSRSGPAPARRNSVTT...	unknown
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 3, mitochondrial	MRLFRWLLKQPVPKQIERYSRFSPSPLSIKQFLDFGRDNACEKTSYMFLR...	unknown
Virulence sensor histidine kinase PhoQ	MNKFARHFLPLSLRVRFLLATAGVVLVLSLAYGIVALVGYSVSFDKTTFR...	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