betulinic acid
(QGJZLNKBHJESQX-FZFNOLFKSA-N)
Structure
- SMILES
- CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]1CC[C@H]3[C@@]([C@]1(C)CC2)(C)CC[C@@H]1[C@]3(C)CC[C@@H](C1(C)C)O)C(=O)O
- Type(s)
- Investigational
- Molecular Formula:
- C30H48O3
- Molecular Weight:
- 456.700
- Log P:
- 7.0895
- Hydrogen Bond Acceptor:
- 3
- Hydrogen Bond Donor:
- 2
- TPSA:
- 57.53
- CAS Number(s):
- 472-15-1
Synonym(s)
1.
betulinic acid
2.
3-epi-betulinic acid
3.
betulic acid
External Link(s)
| MeSH | C002070 |
| PubChem Compound | 64971 |
| BindingDB | 23208 |
| ChEBI | 3087 |
| CHEMBL | CHEMBL269277 |
| DrugBank | DB12480 |
| IUPHAR/BPS Guide to PHARMACOLOGY | 3945 |
| KEGG | cpd:C08619 |
| Therapeutic Target Database | D0R9YR |
| ZINC | 4097714 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Bone Resorption | 24463094 | CTD | |
| 2 | Bone neoplasms | 24463094 | CTD | |
| 3 | Liver Cirrhosis | 22285267 | CTD | |
| 4 | Neoplasm Metastasis | 24463094 | CTD | |
| 5 | melanoma | 16077934 | CTD |
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