solasodine
(KWVISVAMQJWJSZ-VKROHFNGSA-N)
Structure
- SMILES
- C[C@@H]1CC[C@@]2(NC1)O[C@@H]1[C@H]([C@@H]2C)[C@@]2([C@@H](C1)[C@@H]1CC=C3[C@]([C@H]1CC2)(C)CC[C@@H](C3)O)C
- Molecular Formula:
- C27H43NO2
- Molecular Weight:
- 413.636
- Log P:
- 5.6157
- Hydrogen Bond Acceptor:
- 3
- Hydrogen Bond Donor:
- 2
- TPSA:
- 41.49
- CAS Number(s):
- 126-17-0
Synonym(s)
1.
solasodine
2.
solasodine citrate, (3alpha,22alpha,25R)-isomer
3.
solasodine, (3beta,22beta,25S)-isomer
4.
tomatidenol
External Link(s)
| MeSH | C012037 |
| PubChem Compound | 442985 |
| ChEBI | 9190 |
| CHEMBL | CHEMBL518252 |
| KEGG | cpd:C10822 |
| ZINC | 8214722 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Neoplasm Invasiveness | 28283413 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120262
Copyright © 2019-2020 Laboratory of Molecular Modeling and Design, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology. All rights reserved.