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Groups	withdrawn investigational approved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