Geraniin
(JQQBXPCJFAKSPG-SVYIMCMUSA-N)
Structure
- SMILES
- O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1O[C@@H]2COC(=O)c3cc(O)c(c(c3c3c(C(=O)O[C@@H]4[C@H]1OC(=O)c1cc(O)c(c5c1[C@@H]1C(=CC(=O)[C@](O5)(C1(O)O)O)C(=O)O[C@H]24)O)cc(O)c(c3O)O)O)O
- Molecular Formula:
- C41H28O27
- Molecular Weight:
- 952.645
- Log P:
- -1.1015
- Hydrogen Bond Acceptor:
- 27
- Hydrogen Bond Donor:
- 14
- TPSA:
- 450.25
- CAS Number(s):
- 60976-49-0
Synonym(s)
1.
Geraniin
External Link(s)
| MeSH | C024603 |
| PubChem Compound | 3001497 |
| BindingDB | 50242278 |
| ChEBI | 5328 |
| CHEMBL | CHEMBL506069 |
| KEGG | cpd:C10230 |
| Therapeutic Target Database | D0C6QS |
| ZINC | 169289506 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Skin Neoplasms | 12628509 | CTD |
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