gambogic acid
(GEZHEQNLKAOMCA-RRZNCOCZSA-N)
Structure
- SMILES
- CC(=CCc1c2O[C@]34[C@@]5(C/C=C(\C(=O)O)/C)OC([C@@H]4C[C@H](C5=O)C=C3C(=O)c2c(c2c1O[C@](C)(CCC=C(C)C)C=C2)O)(C)C)C
- Molecular Formula:
- C38H44O8
- Molecular Weight:
- 628.751
- Log P:
- 7.2393
- Hydrogen Bond Acceptor:
- 8
- Hydrogen Bond Donor:
- 2
- TPSA:
- 119.36
- CAS Number(s):
- 2752-65-0
Synonym(s)
1.
gambogic acid
2.
gamboge acid
3.
gambogoic acid
External Link(s)
| MeSH | C052659 |
| PubChem Compound | 9852185 |
| BindingDB | 50366237 |
| CHEMBL | CHEMBL555017 |
| ZINC | 3933041 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Hepatoblastoma | 24373880 | CTD | |
| 2 | Stomach Neoplasms | 19084572 | 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.