7OU

6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one

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is present as a standalone ligand in 1 entries

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Chemical Component Summary
Name	6-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one
Synonyms	Esculin
Identifiers	6-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-chromen-2-one
Formula	C₁₅ H₁₆ O₉
Molecular Weight	340.282
Type	NON-POLYMER
Isomeric SMILES	c1c2c(cc(c1O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O)OC(=O)C=C2
InChI	InChI=1S/C15H16O9/c16-5-10-12(19)13(20)14(21)15(24-10)23-9-3-6-1-2-11(18)22-8(6)4-7(9)17/h1-4,10,12-17,19-21H,5H2/t10-,12-,13+,14-,15-/m1/s1
InChIKey	XHCADAYNFIFUHF-TVKJYDDYSA-N

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	5
Bond Count	42
Aromatic Bond Count	6

Drug Info: DrugBank

DrugBank ID	DB13155
Name	Esculin
Groups	approved
Description	Esculin is found in barley. Vitamin C2 is generally considered a bioflavanoid, related to vitamin P esculin is a glucoside that naturally occurs in the horse chestnut (Aesculus hippocastanum), California Buckeye (Aesculus californica) and in daphnin (the dark green resin of Daphne mezereum). Esculin belongs to the family of Glycosyl Compounds. These are carbohydrate derivatives in which a sugar group is bonded through its anmoeric carbonA to another group via a C-, S-,N-,O-, or Se- glycosidic bond.
Synonyms	Esculoside 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one Esculin sodium 6,7-Dihydroxycoumarin 6-glucoside Esculina 6,7-Dihydroxycoumarin-6-O-glucoside 6-(beta-D-Glucopyranosyloxy)-7-hydroxy-cumarin Esculetin 6-O-glucoside Aesculinum Aesculin Esculin esculetin 6-β-D-glucoside
Brand Names	Proctol Ointment Proctosone Ont Proctosedyl Ointment Proctosedyl Sup Odan Proctomyxin HC Suppositories Proctosedyl Proctosone Sup Odan Proctomyxin HC Teva-proctosone Proctol Suppositories Proctosedyl Suppositories
Indication	As medication, esculin is sometimes used as a vasoprotective agent. Esculin is also used in a microbiology laboratory to aid in the identification of bacterial species (especially Enterococci and Listeria), as all strains of Group D Streptococci hydrolyze æsculin in 40% bile.
Categories	Benzopyrans Carbohydrates Coumarins Glucosides Glycosides Heterocyclic Compounds, Fused-Ring Pyrans
CAS number	531-75-9

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Androgen receptor	MEVQLGLGRVYPRPPSKTYRGAFQNLFQSVREVIQNPGPRHPEAASAAPP...	unknown	agonist
Glutaminase kidney isoform, mitochondrial	MMRLRGSGMLRDLLLRSPAGVSATLRRAQPLVTLCRRPRGGGRPAAGPAA...	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