brassinolide
(IXVMHGVQKLDRKH-KNBKMWSGSA-N)
Structure
- SMILES
- O[C@H]([C@H]([C@H]1CC[C@@H]2[C@]1(C)CC[C@H]1[C@H]2COC(=O)[C@@H]2[C@]1(C)C[C@@H](O)[C@H](C2)O)C)[C@@H]([C@H](C(C)C)C)O
- Molecular Formula:
- C28H48O6
- Molecular Weight:
- 480.677
- Log P:
- 3.3900
- Hydrogen Bond Acceptor:
- 6
- Hydrogen Bond Donor:
- 4
- TPSA:
- 107.22
- CAS Number(s):
- 72962-43-7
Synonym(s)
1.
brassinolide
2.
24-epibrassinolide
3.
2alpha,3alpha,22alpha,23alpha-tetrahydroxy-24alpha-methyl-B-homo-7-oxa-5alpha-cholestan-6-one
4.
brassinolide, (2alpha,3alpha,5alpha,22S,23S)-isomer
5.
brassinolide, (2alpha,3alpha,5alpha.22R,23R)-isomer
External Link(s)
| MeSH | C023623 |
| PubChem Compound | 115196 |
| ChEBI | 28277 |
| KEGG | cpd:C08814 |
| ZINC | 8221384 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Prostatic Neoplasms | 17557751 | CTD |
Powered by :
Page last updated at 2020-05-25 10:01:57 (Asia/Shanghai) | You are visitor No. 120330
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.