| CAS ID: | 34157-83-0 |
| Molecular Formula: | C29H38O4 |
| Molecular Weight: | 450.6 g/mol |
| Monoisotopic Mass: | 450.277 g/mol |
| Class: | Small Molecule |
| Natural Product: | Yes |
| Other Names: | Celastrol |
| Analysis: | Drug repositioning mechanism analysis |
| InChI: | InChI=1S/C29H38O4/c1-17-18-7-8-21-27(4,19(18)15-20(30)23(17)31)12-14-29(6)22-16-26(3,24(32)33)10-9-25(22,2)11-13-28(21,29)5/h7-8,15,22,31H,9-14,16H2,1-6H3,(H,32,33)/t22-,25-,26-,27+,28-,29+/m1/s1 | See All |
| InChI Key: | KQJSQWZMSAGSHN-JJWQIEBTSA-N | |
| Smiles: | CC1=C(O)C(=O)C=C2C1=CC=C3[C@@]2(C)CC[C@@]4(C)[C@@H]5C[C@@](C)(CC[C@]5(C)CC[C@]34C)C(=O)O | See All |
| Molfile: | Download |
Reference Record 1
| PubMed ID | 28389259 | Target ID | |
| Uniprot ID | Name | ||
| Model | rat | Fibrosis Disease | Pulmonary fibrosis |
| Process I | |||
| Process II | |||
| Process III | prevenet collagen deposition | ||
| Mechanism | |||
| PubChem: | 122724 |
| ChEMBL: | CHEMBL301982 |