dimethyl shikonin oxime 5a [2939]
dimethyl shikonin oxime 5a
| SMILES | C=CC(C)(C)C(OC(=O)c1ccco1)c1cc(OC)c2c(NO)ccc(N=O)c2c1OC |
| InChIKey | WUXGQZUWKGBOKK-UHFFFAOYSA-N |
Chemical Properties
| Hydrogen bond acceptors | 9 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 9 |
| Log P | 5.759 |
| Molecular weight (Da) | 440.2 |
| Stereochemistry info | unspecified |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| Protein | Gene | Species | Family | Class | Type | Min | Avg | Max | Database |
dimethyl shikonin oxime 5a
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Distribution across phases (no. indications)
Phase I
0
Phase II
0
Phase III
0
Phase IV
0