helenalin
(ZVLOPMNVFLSSAA-XEPQRQSNSA-N)
Structure
- SMILES
- C=C1C(=O)O[C@H]2[C@@H]1[C@H](O)[C@]1(C)C(=O)C=C[C@H]1[C@@H](C2)C
- Molecular Formula:
- C15H18O4
- Molecular Weight:
- 262.301
- Log P:
- 1.2463
- Hydrogen Bond Acceptor:
- 4
- Hydrogen Bond Donor:
- 1
- TPSA:
- 63.6
- CAS Number(s):
- 6754-13-8
Synonym(s)
1.
helenalin
2.
dihydrohelenalin
External Link(s)
| MeSH | C001329 |
| PubChem Compound | 23205 |
| BindingDB | 43484 |
| ChEBI | 5635 |
| CHEMBL | CHEMBL338474 |
| KEGG | cpd:C09473 |
| Therapeutic Target Database | D0Q6YP |
| ZINC | 4098120 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Colonic Neoplasms | 23123298 | CTD | |
| 2 | Inflammation | 23123298 | CTD |
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