RUT

RUTIN

Find entries where: RUT

is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	RUTIN
Synonyms	2-(3,4-DIHYDROXYPHENYL)-5,7-DIHYDROXY-4-OXO-4H-CHROMEN-3-YL 6-O-(6-DEOXY-ALPHA-L-MANNOPYRANOSYL)-BETA-D-GLUCOPYRANOSIDE
Identifiers	2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxymethyl]oxan-2-yl]oxy-chromen-4-one
Formula	C₂₇ H₃₀ O₁₆
Molecular Weight	610.517
Type	NON-POLYMER
Isomeric SMILES	C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=C(Oc4cc(cc(c4C3=O)O)O)c5ccc(c(c5)O)O)O)O)O)O)O)O
InChI	InChI=1S/C27H30O16/c1-8-17(32)20(35)22(37)26(40-8)39-7-15-18(33)21(36)23(38)27(42-15)43-25-19(34)16-13(31)5-10(28)6-14(16)41-24(25)9-2-3-11(29)12(30)4-9/h2-6,8,15,17-18,20-23,26-33,35-38H,7H2,1H3/t8-,15+,17-,18+,20+,21-,22+,23+,26+,27-/m0/s1
InChIKey	IKGXIBQEEMLURG-NVPNHPEKSA-N

Chemical Details
Formal Charge	0
Atom Count	73
Chiral Atom Count	10
Bond Count	77
Aromatic Bond Count	18

Drug Info: DrugBank

DrugBank ID	DB01698
Name	Rutin
Groups	approved investigational experimental
Description	A flavonol glycoside found in many plants, including buckwheat; tobacco; forsythia; hydrangea; viola, etc. It has been used therapeutically to decrease capillary fragility.
Synonyms	Phytomelin Rutin 3-[[6-O-(6-Deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranosyl]oxy]-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-1-benzopyran-4-one 3-Rhamnoglucosylquercetin 3-Rutinosyl quercetin Quercetin-3-rutinoside Rutosido Quercetin 3-rutinoside Vitamin P Rutoside Rutoside trihydrate Rutosidum Sophorin
Brand Names	Vitamin C 300mg Plus Acerola Tab Rose Hips 500plus Nu Life
Categories	Benzopyrans Capillary Stabilizing Agents Chromones Cytochrome P-450 CYP3A Inducers Cytochrome P-450 CYP3A Inhibitors Cytochrome P-450 CYP3A4 Inducers Cytochrome P-450 CYP3A4 Inducers (strength unknown) Cytochrome P-450 CYP3A4 Inhibitors Cytochrome P-450 Enzyme Inducers Cytochrome P-450 Enzyme Inhibitors Flavonoids Flavonols Heterocyclic Compounds, Fused-Ring Pyrans Vasoprotectives
ATC-Code	C05CA51 C05CA01
CAS number	153-18-4

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carbonyl reductase [NADPH] 1	MSSGIHVALVTGGNKGIGLAIVRDLCRLFSGDVVLTARDVTRGQAAVQQL...	unknown
Aldo-keto reductase family 1 member C3	MDSKHQCVKLNDGHFMPVLGFGTYAPPEVPRSKALEVTKLAIEAGFRHID...	unknown
Cytochrome P450 3A4	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	inducer

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