butylidenephthalide
(WMBOCUXXNSOQHM-FLIBITNWSA-N)
Structure
- SMILES
- CCC/C=C/1\OC(=O)c2c1cccc2
- Molecular Formula:
- C12H12O2
- Molecular Weight:
- 188.222
- Log P:
- 2.9980
- Hydrogen Bond Acceptor:
- 2
- Hydrogen Bond Donor:
- 0
- TPSA:
- 26.3
- CAS Number(s):
- 551-08-6; 72917-31-8
Synonym(s)
1.
butylidenephthalide
2.
3-butylidene-1(3H)-isobenzofuranone
3.
n-butylidenephthalide
External Link(s)
| MeSH | C026105 |
| PubChem Compound | 642376 |
| BindingDB | 50241315 |
| ChEBI | 68233 |
| CHEMBL | CHEMBL249592 |
| KEGG | cpd:C16924 |
| ZINC | 1573356 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Glioblastoma | 16987298 | CTD |
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