betulin
(FVWJYYTZTCVBKE-ROUWMTJPSA-N)
Structure
- SMILES
- OC[C@@]12CC[C@H]([C@@H]2[C@@H]2[C@](CC1)(C)[C@]1(C)CC[C@@H]3[C@]([C@H]1CC2)(C)CC[C@@H](C3(C)C)O)C(=C)C
- Molecular Formula:
- C30H50O2
- Molecular Weight:
- 442.717
- Log P:
- 6.9972
- Hydrogen Bond Acceptor:
- 2
- Hydrogen Bond Donor:
- 2
- TPSA:
- 40.46
- CAS Number(s):
- 473-98-3
Synonym(s)
1.
betulin
2.
betulinol
3.
lup-20(29)-en-3 alpha, 28,30-triol
4.
lup-20(29)-ene-3alpha,28-diol
External Link(s)
| MeSH | C002503 |
| PubChem Compound | 72326 |
| BindingDB | 23207 |
| ChEBI | 3086 |
| CHEMBL | CHEMBL23236 |
| KEGG | cpd:C08618 |
| Therapeutic Target Database | D05KJY |
| ZINC | 3978650 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Colonic Neoplasms | 20193672 | CTD |
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