Inositol
(CDAISMWEOUEBRE-UHFFFAOYSA-N)
Structure
- SMILES
- OC1C(O)C(O)C(C(C1O)O)O
- Molecular Formula:
- C6H12O6
- Molecular Weight:
- 180.156
- Log P:
- -3.8346
- Hydrogen Bond Acceptor:
- 6
- Hydrogen Bond Donor:
- 6
- TPSA:
- 121.38
- CAS Number(s):
- 87-89-8; 488-54-0; 488-55-1; 488-58-4; 488-59-5; 551-72-4; 576-63-6; 643-10-7; 643-12-9; 6917-35-7; 38876-99-2; 41546-34-3
Synonym(s)
1.
Inositol
2.
Myoinositol
3.
Chiro-Inositol
4.
Mesoinositol
5.
Chiro Inositol
External Link(s)
| MeSH | D007294 |
| PubChem Compound | 892 |
| BindingDB | 50369175 50291963 |
| ChEBI | 10642 17268 27374 22357 23311 23927 24848 25492 27372 27987 |
| CHEMBL | CHEMBL1950780 CHEMBL1231671 CHEMBL3976780 CHEMBL468154 CHEMBL278373 CHEMBL1222251 |
| DrugBank | DB15350 DB03106 DB13178 |
| DrugCentral | 1444 |
| IUPHAR/BPS Guide to PHARMACOLOGY | 4649 4645 4495 4648 |
| KEGG | cpd:C00137 cpd:C06151 cpd:C06152 cpd:C06153 cpd:C19891 dr:D08079 |
| Therapeutic Target Database | D07CPO D03SHD D08DXZ D0B1EY D0Y4UQ |
| ZINC | 102201844 101185827 100035580 100037751 100073149 100024490 1530357 100018867 103574475 103574430 250615063 306121118 100032893 100513675 100055570 103574467 100019018 253837650 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Adenoma | 8912846 | CTD | |
| 2 | Albuminuria | 7589874 | CTD | |
| 3 | Autistic Disorder | 16818868 | CTD | |
| 4 | Brain Injuries | 8212011 | CTD | |
| 5 | Depressive disorder | 9018096 | CTD | |
| 6 | Developmental Disabilities | 16818868 | CTD | |
| 7 | Diabetes Mellitus, Experimental | 2452237 | CTD | |
| 8 | Fetal Resorption | 16511884 | CTD | |
| 9 | Flushing | Canada Vigilance: 1 | Canada Vigilance | |
| 10 | Infarction, Middle Cerebral Artery | 26079057 | CTD | |
| 11 | Lung Neoplasms | 8912846 | CTD | |
| 12 | Neoplasms, Experimental | 8912846 | CTD | |
| 13 | Neural Tube Defects | 16511884 | CTD | |
| 14 | Obsessive-Compulsive Disorder | 15214512 | CTD | |
| 15 | Polycystic Ovary Syndrome | 26545973 | CTD | |
| 16 | Seizures | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120237
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.