Compound Detail
CHEMBL465498
EXODECONOLIDE B Enter ChEMBL ID:
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CC1=C(C)C(=O)O[C@@H](/C(C)=C2\[C@H](O)C[C@H]3[C@@H]4[C@@H]5O[C@@H]5[C@@]5(O)CC=CC(=O)[C@]5(C)[C@H]4CC[C@]23C)C1
Basic Information
| ChEMBL ID | CHEMBL465498 |
| Name | EXODECONOLIDE B |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YARITIRBZOEIHO-RWNMZWDLSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
468.6
MW (Da)
3.42
ALogP
6
HBA
2
HBD
96.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12027740 | 10.1021/np0106337 | Unchecked | 2 |
| 12027740 | 10.1021/np0106337 | Quinone oxidoreductase | 2 |
| 12027740 | 10.1021/np0106337 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine