| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2004 | 12 | Yes |
Popular Name: Inositol Inositol
Find On: PubMed — Wikipedia — Google
CAS Numbers: 10284-63-6 , 41546-34-3 , 488-58-4 , 488-59-5 , 551-72-4 , 643-10-7 , 643-12-9 , 6917-35-7 , 87-89-8 , [10284-63-6] , [488-58-4] , [488-59-5] , [643-12-9] , [87-89-8]
1,2,3,4,5,6-cyclohexanehexol; inositol; inositols
488-59-5; C06153; Scyllitol; scyllo-Inositol
643-12-9; C19891; D-chiro-Inositol
CHEBI:43559; CHEBI:10601; CHEBI:12831; CHEBI:12826; CHEBI:25451
Cyclohexane-1,2,3,4,5,6-hexaol
meso-Inositol [87-89-8]; (myo-Inositol)
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.39 | -10.9 | -7.25 | 6 | 6 | 0 | 121 | 180.156 | 0 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Mp [°C] | 220 - 228 | Acros Organics |
| MP | 222-227 °C(lit.) | Indofine |
| Melting_Point | 224-227? | Alfa-Aesar |
| Melting_Point | 224-227° | Alfa-Aesar |
| MP | 226 | TCI |
| ALOGPS_SOLUBILITY | 4.85e+02 g/l | DrugBank-experimental |
| Purity | 95% | Fluorochem |
| Purity | 97% | APIChem |
| Purity | >99% | Fluorochem |
| UniProt Database Links | AB1IP_HUMAN; AB1IP_MOUSE; ACAC_YEAST; ACYLT_MYCS2; ACYLT_MYCTU; ADAT1_CHICK; ADAT1_DICDI; ADAT1_DROME; ADAT1_HUMAN; ADAT1_MACFA; ADAT1_MOUSE; ADAT1_XENTR; AFB2_ARATH; AFB3_ARATH; AGA1_YEAST; AGE1_CAEBR; AGE1_CAEEL; AIPS_METTH; AKT1_BOVIN; AKT1_HUMAN; AKT1 | ChEBI |
| Indications | antialzheimers | KeyOrganics Bioactives |
| Target | Apoptosis regulator Bcl-2(P10415)&Choline-phosphate cytidylyltransferase A(P49585)&Superoxide dismutase [Cu-Zn](P00441)&G1/S-specific cyclin-D1(P24385) | Herbal Ingredients Targets |
| Target | Caveolin-1(Q03135) | Herbal Ingredients Targets |
| Patent Database Links | EP1574216; EP1609462; EP1705246; US2004058421; US2005214885; US2006135624; US2007219158; US2007219164; WO2005010160; WO2007128884 | ChEBI |
| Patent Database Links | EP1705246; US2006280796; US2007197452 | ChEBI |
| Patent Database Links | EP1738747; US2006100255; US2007190057; WO2005030140 | ChEBI |
| Therapy | growth factor | SMDC Iconix |
| SOLUBILITY | H2O: 0.5 M at 20 °C, clear, colorless | Indofine |
| Reactome Database Links | REACT_121059; REACT_150193; REACT_150218; REACT_150231; REACT_19215; REACT_19299; REACT_19415 | ChEBI |
| S phrase | S24/25: Avoid contact with skin and eyes. | Acros Organics |
| Target | Steroid 17-alpha-hydroxylase/17,20 lyase(P05093)&Aldo-keto reductase family 1 member C3(P42330) | Herbal Ingredients Targets |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLCB3-1-E | Phospholipase C-beta-3 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 2000 | 0.66 | Binding ≤ 10μM |
| PLCG2-1-E | Phospholipase C-gamma-2 (cluster #1 Of 2), Eukaryotic | Eukaryotes | 2000 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PLCB3_HUMAN | Q01970 | Phospholipase C-beta-3, Human | 10000 | 0.58 | Binding ≤ 10μM |
| PLCG2_HUMAN | P16885 | Phospholipase C-gamma-2, Human | 10000 | 0.58 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Inositol transporters |
|
| Synthesis of IP2, IP, and Ins in the cytosol | |
| Synthesis of PI |
| Description | Species |
|---|---|
| Acetylcholine regulates insulin secretion | |
| Antigen activates B Cell Receptor (BCR) leading to generation of second messenge | |
| Ca2+ pathway | |
| DAP12 signaling | |
| Fatty Acids bound to GPR40 (FFAR1) regulate insulin secretion | |
| FCERI mediated Ca+2 mobilization | |
| FCERI mediated MAPK activation | |
| G alpha (q) signalling events | |
| G beta:gamma signalling through PLC beta | |
| GPVI-mediated activation cascade | |
| PLC beta mediated events | |
| Presynaptic function of Kainate receptors | |
| Role of phospholipids in phagocytosis | |
| Synthesis of IP3 and IP4 in the cytosol | |
| Toll Like Receptor 4 (TLR4) Cascade |
