INS

1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE

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is present as a standalone ligand in 36 entries

as a non-polymer is covalently linked to polymer or other heterogen groups 2 entries

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Chemical Component Summary
Name	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE
Synonyms	MYO-INOSITOL
Identifiers	cyclohexane-1,2,3,4,5,6-hexol
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	NON-POLYMER
Isomeric SMILES	C1(C(C(C(C(C1O)O)O)O)O)O
InChI	InChI=1S/C6H12O6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-12H/t1-,2-,3-,4+,5-,6-
InChIKey	CDAISMWEOUEBRE-GPIVLXJGSA-N

Chemical Details
Formal Charge	0
Atom Count	24
Chiral Atom Count	0
Bond Count	24
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB13178 ?
Name	Inositol
Groups	approved withdrawn investigational
Description	Inositol is a collection of nine different stereoisomers but the name is usually used to describe only the most common type of inositol, myo-inositol. Myo-inositol is the cis-1,2,3,5-trans-4,6-cyclohexanehexol and it is prepared from an aqueous extract of corn kernels by precipitation and hydrolysis of crude phytate. These molecules have structural similarities to glucose and are involved in cellular signaling. It is considered a pseudovitamin as it is a molecule that does not qualify to be an essential vitamin because even though its presence is vital in the body, a deficiency in this molecule does not translate into disease conditions.[L2560] Inositol can be found as an ingredient of OTC products by Health Canada but all current product whose main ingredient is inositol are discontinued.[L1113] By the FDA, inositol is considered in the list of specific substances affirmed as generally recognized as safe (GRAS).[L2561]
Synonyms	Inositol L-myo-Inositol meso-Inositol myo-inositol Meat sugar 1,2,3,5/4,6-cyclohexanehexol cis-1,2,3,5-trans-4,6-cyclohexanehexol
Brand Names	Super Stress Capsules Revitalize Multi-vitamin and Mineral Complex Multivitamins and Minerals for Young Men Revitex Ampoules Et Comprimes Hi Potency Multi Tab Extra Once A Day Vita-vim - Tab Multi B Cyruta Tab Time Release B 100 Compound - Tablet B-plus - Tab Wellness Formula Protect Plus SO 60 Doctor's Choice Brand for Men Vitamin & Mineral Formula 1 Dietary Supplement Super-pote Vitamin Supplement Super B Compound W 500mg Vit C Amino-cerv Inositol-S Tab 400mg Lipotropic Ctr Liqui B Complex Plus Bev B-150 Inositol Tab 250mg Red American Eagle Vitamin Supplement Drink Vitamin B Complex W C Tab Hoa 1 Vit-HA Multi Vitamin and Zinc Supplement Inositolex 400mgms Lipotropic Adjunct Prenatvite Stress B With 1000 Mg Vitamin C Swiss One Multi Vit & Chel Min Tab Timed Release B Complex 100 Srt Choline Inositol Methionine Formula C.I. Tab Lipo Factors Plus B6 Inositol Tab 405mg Mega Plex IV - Pck Lipotrope Tab Vit B Complex Ctr Neonatal Plus Vitamin Vege 1 Daily Tab Twin G.F. Powder Vanilla Flavor Advanced 2000 Capsules B Complex 25mg Vitamin Supplement Complete One-A-day - Tab Multi-force for Women Tab B50 Complex Multivitamins and Minerals With Betacarotene Tablets Deriton Multivitamins and Minerals for Men Vita-B Multi II IV Vi Tab Vita B Complex Tab Inositol 500mg Stressmates Vita Vim With Beta Carotene-caplet Calcium Magnesium Plus Vitamin D Liquid Mega Capsules 24 Multivitamins + Minerals Children's Chewable Multivitamins and Minerals Multivitamins and Minerals for Women Complete Mega B Stress B&c Tab Vege Swiss One Multivitamin W Chel Mins Tab Hi Potency Stress B Tension With C Forty Plus Vitamin Supplement Complete Multivitamins and Minerals Tablets Timed Release Multivitamin & Minerals (iron Free) Neomultivite Prenatvite Plus Daily Energy Brand Vitamin & Mineral Drink Mix Lipo-B-C Tab Biosculpt New Chapter's D'adamo 4 Your Type Multiple for Type O Phytovim Cap Niacin 500 Mg and Inositol Mega Balance Inositol Ctr Srt 400mg Multivitamins and Minerals for Young Women Vita Vim Multivitamins and Minerals Tab Mega Vitaminerals Card-floe II Tab Spectrum 2 Cap Vita Balance 2000 Timed Release B-complex 50 B Complex 50 Vitamin Cap Gnc Choline/inositol 250mg Tablets Super Vita-vim With Beta-carotene - Tab Stress B Capsules With Vitamin C Lipall Plus Tab Mega Lipotropic Cap B Compound 50mg Tab Vitamin B Tablets B-100 Caps B-complex Alertonic Nitro Vites - Tab Multi Plex II - Tab Vita-worth B-complex Tablets Stom #2 B-complex With Vitamin C, Biotin, Folic Acid Derma-force Multi Flow Tablets Lipotrope-plus B6 Tab Twin G.F. Powder Onccor 50 Plus L Fac Tab Mega Plex III - Pck Mic B12 Vitaplex Classic Swiss One 10 Multivitamin and Mineral Tab Inositol Caps 500mg One A Day Tab Magnum-75 Vitamin and Mineral Supplement B-50 Complex Grand Master Formula Tab Multi Vitamin-mineral Formula Complexe B Compose 75 C.A.G. Tab Super Stress Mega B Plus 1000mg Vit C Tab Swiss One Timed Release Tab C. Vit-min Formula Stress Forte Plus Lipotropic Factors Hyporyl - Tab B-complex Tab Liqui B Complex B-complex-50 Tab B Complex 50+ Caplet Vasula Tab Formula Hh Swiss One Multivitamin and Mineral Caplet Usana Megavitamin Tablets - Tab Multi-force for Adults Tab Multicaps Only One - Tablet Chromium and Vanadium Mineral Supplement Balanced B 125 Srt Orti B Lipotropics 600 Tab Multi Spectrum - Tablet Multra With Iron Formula F L W Vita-vim With Beta-carotene - Tab Vita Plex Tab B-50 Hi Potency B Vitamins Tab Revit Multi-vitamins and Minerals Harvest Of Values All B Complex Tab Mega 13 Multivitamin Formula Vitachrom Gc Lipovite B-complex 50 Body Rox Ultr F/b E.S. Mega Lipotropic Fmla W B6bet Lip - Fac Formula Ultra Hr Timed Release B-complex 100 Maintain Multiple Vitamin & Minerals Rocky Mountain Multiple Vit and Min Mega Tab My Favorite Niacin and Inositol Tab Formula 9 Tab Olympian Multi Vit Plus Minerals Tab Super Vita Vim Multivitamins and Minerals Men's 50+ Multivitamine For-2 Maximum Once A Day Men's Biomultiple Vitamin and Mineral Supplement Formula Pro-B One A Day Multiple Vit W Minerals Prenatal Vi-min Right Choice P.M. Multi Formula - Caplet Vitalife - Capsule Choline and Inositol 250mg/250mg B 50 Capsules Stress Formula B-comp + 500mg Vit C Tab Twin Opti Pwr Multi-phyto Capsules Formula Gly Liqui Vita Men's Multi Master Formula Vitamin B Compound W C Tab 500mg Vitamin B Complex 100 Tab Essential B Tablets Dp 2000 Alkadrenergy Tablets B-plex Formula Cm Bev 29 Tab Neonatal Vitamin Palm Spring's PM Form Tab Multipack II Women's Formula Hi Potency B Complex W Chelated Minerals Mega-vim 75 With Beta-carotene - Tablets Multi Tabs Multivitamin & Multimineral Nrg Plus Liq Prenatal Formula Tab Vitamin B Compound W Vit C 250mg Tab Stress Ctr Srt Natural Source Spectrum With Beta Carotene Mini-B Tab Phytopure B-100 Vitamin Supplement Inositol Nicotinate Plus CR Super Daily No 2 Maxum Multi-vite Super Multi Liquid B Complex 50 Multi Plex I - Tab Hi Potency B52 B Complex Tab Low Potency B Complex Tab Swiss One Stress Formula Multi-B Comp + 500mg Vit C Cap Stress Formula Vit B With C Complex Maxine Vitamin and Mineral Supplement Innersource Tab American Plus Energy & Vitamin Drink Multitabs L.C. Supplement Master Key Multi Vitamin Multi Mineral Formula 2 Fusion PM Formula Tab B-complex 100 Stress B & C Caplet Complete One A Day Tab Vitamin B Complex Suppl Inositol 250mg - Tab Choline & Inositol Caps Women's Biomultiple Vitamin and Mineral Supplement Multra Plex American Eagle Energizer Plus Vitamin Supplement Drink Timed Release Vita-vim Srt Formula Lf Ultimate Tab Vitamin B + C Cap Insur-all Vitamin Supplement Vitamin B Complex 50 Children's Chewable Vit and Min Tab Stress Vitamin B With C Complex Tablets Body Tropics Plus Tab Bev-lipo-1000 Multiple Vitamins and Minerals Capsules H.W. Children's Chewable Multi Vit & Mineral
Indication	Inositol may be used in food without any limitation. As a drug, inositol is used as a nutrient supplement in special dietary foods and infant formula.[L2561] As it presents a relevant role in ensuring oocyte fertility, inositol has been studied for its use in the management of polycystic ovaries.[A32751] Inositol is also being researched for the treatment of diabetes,[A32766] prevention of metabolic syndrome,[A32768] aid agent for weight loss,[A32769] treatment of depression, psychiatric disorder and anxiety disorder[A32770] and for prevention of cancer.[A32771]
Categories	Alcohols Alimentary Tract and Metabolism Carbohydrates Drugs that are Mainly Renally Excreted Micronutrients Other Nutritional Agents Sugar Alcohols Vitamin B Complex Vitamins
ATC-Code	A11HA07
CAS number	87-89-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Sodium/myo-inositol cotransporter	MRAVLDTADIAIVALYFILVMCIGFFAMWKSNRSTVSGYFLAGRSMTWVT...	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

Related Resource References

Resource Name	Reference
CCDC/CSD	MYINOL01, EPINSR, FOPKOK, ZIVVOR, EPINOS, MYINOL02, MYTOLD01, EFURIH04, ZIVVIL, YEPNOW, IFAKAC, UDINUR, MYINCA10, YEPNOW01, EFURIH03, QIKZUH01, MUINOS, EFURIH01, EFURIH, EFURIH02, MYINOL, QIKZAN02, INSMGC, QIKZUH, QIKZAN01, QIKZAN
COD	2212154, 1543051, 1543052, 1543053, 1543054, 1543055, 1543056, 2209541, 2209684

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.

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INS

1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE

Chemical Component Summary

Chemical Details

Drug Info: DrugBank

Drug Targets

Related Resource References