INS

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

Created:	1999-07-08
Last modified:	2024-09-27

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36 entries where INS is found as a standalone ligand2 entries where INS is covalently linked to polymer or other heterogen groups

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

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Chemical Component Summary
Name	1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE
Synonyms	MYO-INOSITOL
Systematic Name (OpenEye OEToolkits)	cyclohexane-1,2,3,4,5,6-hexol
Formula	C₆ H₁₂ O₆
Molecular Weight	180.156
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(O)C(O)C(O)C(O)C1O
SMILES	CACTVS	3.341	O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C1(C(C(C(C(C1O)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1(C(C(C(C(C1O)O)O)O)O)O
InChI	InChI	1.03	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	InChI	1.03	CDAISMWEOUEBRE-GPIVLXJGSA-N

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Groups	approved withdrawn investigational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	Meat sugar L-myo-Inositol myo-inositol meso-Inositol Inositol cis-1,2,3,5-trans-4,6-cyclohexanehexol 1,2,3,5/4,6-cyclohexanehexol
Brand Names	Biosculpt Formula Cm Ultr F/b E.S. Mega Lipotropic Fmla W B6bet Formula Pro-B Hi Potency Stress B Tension With C Inositol-S Tab 400mg Natural Source Spectrum With Beta Carotene Complete Mega B Liqui B Complex Plus B Compound 50mg Tab Multi Plex II - Tab Complete One-A-day - Tab Extra Once A Day Inositol Tab 405mg Swiss One Multivitamin and Mineral Caplet Bev 29 Tab B Complex 25mg Vitamin Supplement Multivitamins and Minerals for Young Men One A Day Multiple Vit W Minerals Stressmates B-plus - Tab Rocky Mountain Multiple Vit and Min Mega Tab Multi Tabs Vitaplex Essential B Tablets Women's Formula Grand Master Formula Tab Innersource Tab Lipotrope-plus B6 Tab Multi B Lipotropic Adjunct Vit B Complex Ctr New Chapter's D'adamo 4 Your Type Multiple for Type O Super-pote Vitamin Supplement C.A.G. Tab Palm Spring's PM Form Tab Swiss One Multi Vit & Chel Min Tab Inositol 250mg - Tab Bev B-150 Women's Biomultiple Vitamin and Mineral Supplement Inositol Nicotinate Plus CR Cyruta Tab Formula 9 Tab Mega Lipotropic Cap My Favorite Niacin and Inositol Tab Card-floe II Tab Vita Vim Multivitamins and Minerals Tab Multi-force for Adults Tab Formula Hh Vita-vim With Beta-carotene - Tab Men's Biomultiple Vitamin and Mineral Supplement Multipack II Vitamin B Complex Suppl Mega Capsules B-50 Hi Potency B Vitamins Tab Calcium Magnesium Plus Vitamin D Liquid Fusion PM Formula Tab Multi-phyto Capsules American Eagle Energizer Plus Vitamin Supplement Drink Inositol 500mg Swiss One Vitamin B Compound W C Tab 500mg Classic Swiss One 10 Multivitamin and Mineral Tab Multra Plex Formula C.I. Tab Multivitamins and Minerals for Young Women Phytovim Cap Super Multi Vita-worth B-complex Tablets Neomultivite Liqui Vita Advanced 2000 Capsules Alkadrenergy Tablets Insur-all Vitamin Supplement Multi Plex I - Tab B Complex 50+ Caplet Multicaps Multitabs H.W. Children's Chewable Multi Vit & Mineral Only One - Tablet Spectrum 2 Cap Amino-cerv Formula Lf Stom #2 24 Multivitamins + Minerals Maintain Multiple Vitamin & Minerals Mega Plex IV - Pck Multiple Vitamins and Minerals Capsules B-complex 100 Vitamin & Mineral Formula 1 Dietary Supplement Forty Plus Vitamin Supplement Red American Eagle Vitamin Supplement Drink Men's Multi Master Formula Multi Vitamin-mineral Formula Lipotropics 600 Tab Prenatal Formula Tab Olympian Multi Vit Plus Minerals Tab Hyporyl - Tab Mega-vim 75 With Beta-carotene - Tablets C. Vit-min Formula L Fac Tab Lip - Fac Formula Revitex Ampoules Et Comprimes Mic B12 Super Vita-vim With Beta-carotene - Tab Vita-vim - Tab Vege 1 Daily Tab Multivitamin & Minerals (iron Free) B-100 Vitamin Supplement Deriton Children's Chewable Vit and Min Tab Mega Vitaminerals Body Tropics Plus Tab Formula Gly Prenatal Vi-min Alertonic Revit Multi-vitamins and Minerals Multi Spectrum - Tablet Protect Plus SO 60 Vita Plex Tab Twin G.F. Powder Neonatal Vitamin Stress Formula B-comp + 500mg Vit C Tab Choline Inositol Methionine B-complex One A Day Tab For-2 Vitachrom Gc Timed Release B-complex 50 Super B Compound W 500mg Vit C Inositol Ctr Srt 400mg B-complex With Vitamin C, Biotin, Folic Acid Balanced B 125 Srt Multi Flow Tablets Complexe B Compose 75 Neonatal Plus Vitamin B 50 Capsules Gnc Choline/inositol 250mg Tablets Harvest Of Values All B Complex Tab Twin Opti Pwr Vitamin B Complex 100 Tab Complete One A Day Tab L.C. Supplement Wellness Formula Daily Energy Brand Vitamin & Mineral Drink Mix Hi Potency B Complex W Chelated Minerals Multra With Iron Stress Formula Vit B With C Complex Right Choice P.M. Multi Formula - Caplet Vitamin B Complex 50 Ultimate Tab Super Stress Mega B Plus 1000mg Vit C Tab Mega 13 Multivitamin Formula Vitalife - Capsule Mini-B Tab Vitamin B Tablets Lipotropic Ctr Inositolex 400mgms Prenatvite Multivitamins and Minerals for Men Dp 2000 Liqui B Complex American Plus Energy & Vitamin Drink Chromium and Vanadium Mineral Supplement Vitamin B Complex W C Tab Vege Swiss One Multivitamin W Chel Mins Tab Doctor's Choice Brand for Men Usana Megavitamin Tablets - Tab Twin G.F. Powder Vanilla Flavor Prenatvite Plus B Complex 50 Vitamin Cap Stress B Capsules With Vitamin C Ultra Hr Swiss One Timed Release Tab Vitamin B Compound W Vit C 250mg Tab Multivitamin & Multimineral Stress Ctr Srt Time Release B 100 Compound - Tablet Vit-HA Multi Vitamin and Zinc Supplement Lipovite B-complex-50 Tab Mega Balance Men's 50+ Super Stress Capsules Multi-force for Women Tab Nitro Vites - Tab Children's Chewable Multivitamins and Minerals Niacin 500 Mg and Inositol Stress B With 1000 Mg Vitamin C Stress Vitamin B With C Complex Tablets Hi Potency B52 B Complex Tab Maxine Vitamin and Mineral Supplement Multivitamins and Minerals With Betacarotene Tablets Vita Vim With Beta Carotene-caplet Multi II IV Vi Tab Timed Release B-complex 100 Super Vita Vim Multivitamins and Minerals Multivitamins and Minerals for Women Body Rox Vita B Complex Tab 50 Plus B-plex Hoa 1 Lipo Factors Plus B6 Multivitamine Vita-B Inositol Caps 500mg Nrg Plus Liq Hi Potency Multi Tab Super Daily No 2 B-50 Complex Vita Balance 2000 Mega Plex III - Pck B-complex Tab Choline & Inositol Caps Choline and Inositol 250mg/250mg Liquid B Complex 50 Derma-force Formula F L W Phytopure Timed Release B Complex 100 Srt Vitamin B + C Cap Onccor Stress B & C Caplet Vasula Tab Lipall Plus Tab B-100 Caps Lipotrope Tab Stress B&c Tab Lipo-B-C Tab Stress Formula Multi-B Comp + 500mg Vit C Cap Master Key Multi Vitamin Multi Mineral Formula 2 B-complex 50 B50 Complex Bev-lipo-1000 Magnum-75 Vitamin and Mineral Supplement Revitalize Multi-vitamin and Mineral Complex Maxum Multi-vite Orti B Stress Forte Plus Lipotropic Factors Complete Multivitamins and Minerals Tablets Timed Release Timed Release Vita-vim Srt Maximum Once A Day Inositol Tab 250mg Low Potency B Complex Tab
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	MRAVLDTADIAIVALYFILVMCIGFFAMWKSNRSTVSGYFLAGRSMTWVA...	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