limonin
(KBDSLGBFQAGHBE-MSGMIQHVSA-N)
Structure
- SMILES
- O=C1OC[C@]23[C@H](C1)OC([C@@H]2CC(=O)[C@@]1([C@@H]3CC[C@@]2([C@]31O[C@@H]3C(=O)O[C@H]2c1cocc1)C)C)(C)C
- Molecular Formula:
- C26H30O8
- Molecular Weight:
- 470.512
- Log P:
- 3.1374
- Hydrogen Bond Acceptor:
- 8
- Hydrogen Bond Donor:
- 0
- TPSA:
- 104.57
- CAS Number(s):
- 1180-71-8
Synonym(s)
1.
limonin
2.
7,16-dioxo-7,16-dideoxylimondiol
3.
obaculactone
External Link(s)
| MeSH | C001546 |
| PubChem Compound | 179651 |
| BindingDB | 50418089 |
| ChEBI | 16226 |
| CHEMBL | CHEMBL517449 |
| KEGG | cpd:C03514 |
| ZINC | 4096134 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Bone Resorption | 9881647 | CTD |
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