casticin
(PJQLSMYMOKWUJG-UHFFFAOYSA-N)
Structure
- SMILES
- COc1cc2oc(c3ccc(c(c3)O)OC)c(c(=O)c2c(c1OC)O)OC
- Molecular Formula:
- C19H18O8
- Molecular Weight:
- 374.341
- Log P:
- 2.9056
- Hydrogen Bond Acceptor:
- 8
- Hydrogen Bond Donor:
- 2
- TPSA:
- 107.59
- CAS Number(s):
- 479-91-4
Synonym(s)
1.
casticin
2.
3',5-dihydroxy-3,4',6,7-tetramethoxyflavone
3.
Vx-5 cpd
4.
vitexicarpin
External Link(s)
| MeSH | C054133 |
| PubChem Compound | 5315263 |
| ChEBI | 69355 |
| CHEMBL | CHEMBL452767 |
| ZINC | 6018556 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Chromosome Breakage | 29098808 | CTD | |
| 2 | Neoplasm Invasiveness | 28444820 | 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.