beta-ionone
(PSQYTAPXSHCGMF-BQYQJAHWSA-N)
Structure
- SMILES
- CC(=O)/C=C/C1=C(C)CCCC1(C)C
- Molecular Formula:
- C13H20O
- Molecular Weight:
- 192.297
- Log P:
- 3.6582
- Hydrogen Bond Acceptor:
- 1
- Hydrogen Bond Donor:
- 0
- TPSA:
- 17.07
- CAS Number(s):
- 79-77-6; 14901-07-6; 85949-43-5
Synonym(s)
1.
beta-ionone
2.
4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
3.
beta-ionone, (trans)-isomer
External Link(s)
| MeSH | C008157 |
| PubChem Compound | 638014 |
| BindingDB | 181139 |
| ChEBI | 32325 |
| CHEMBL | CHEMBL559945 |
| KEGG | cpd:C12287 |
| ZINC | 3881456 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Colonic Neoplasms | 30662405 | CTD | |
| 2 | Fatty Liver | 31150631 | CTD | |
| 3 | Hepatomegaly | 31150631 | CTD | |
| 4 | Liver neoplasms | 20435455 30662405 | CTD | |
| 5 | Melanoma, Experimental | 9164984 | CTD | |
| 6 | Precancerous Conditions | 20435455 | CTD | |
| 7 | Prostatic Neoplasms | 30662405 | CTD | |
| 8 | Skin Neoplasms | 30662405 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262
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.