wortmannin Details
:
IUPAC Name
NA
:Chemical Class
:CAS Registry Number
19545-26-7
:Description
:Fragrance Type
Physical and Chemical properties
| PUBCHEM ID | 312145 |
| CAS Registry Number | 0.0 |
| Aroma Threshold | 0.0 |
| Molecular Weight (g/mol) | 428.432 |
| Molecular Formula | C23H24O8 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 8 |
| Rotatable Bond Count | 4 |
| IUPAC Name | |
| Canonical SMILES | COCC3OC(=O)c4coc5C(=O)/C1=C(C(OC(C)=O)CC2(C)C(=O)CCC12)C3(C)c45 |
| PUBCHEM IUPAC INCHIKEY | QDLHCMPXEPAAMD-QAIWCSMKSA-N |
| Solubility Level | 2 |
| Vapour Pressure | -7.985 |
Absorption and Metabolism information
| XLOGP3 AA | 1.2 |
| CACTVS TPSA | 109 |
| BBB Level | 3 |
| Absorption Level | 0 |
| EXT PPB#Prediction | 0 |
| AlogP98 | 1.705 |
| EXT CYP2D6#Prediction | 0 |
Toxicological Information
| Mouse Female FDA | Non-Carcinogen |
| Mouse Male FDA | Multi-Carcinogen |
| Rat Female FDA | Single-Carcinogen |
| Rat Male FDA | Single-Carcinogen |
| Ames Prediction | Non-Mutagen |
| Developmental / Reproductive Toxicity | Toxic |
| Rat Oral LD50 | 0.599599 g/kg_body_weight |
| Ocular Irritancy | Mild |
| Hepatotoxic#Prediction | 0 |
| Effected Human Genes |
Ecological Information
| Aerobic Biodegradability Prediction | Degradable |
Hazard(s) Identification
| Physical hazards | not classified |
| Health hazards | Mild |
| Environmental hazards | not classified |
Compound Biological Activity
| Serial No. | Activity Name | Details | References (PubMed) | Other details EPA (U.S) | Clinical Trials (U.S. NIH) |
|---|---|---|---|---|---|
| 1 | 19545-26-7 | wortmannin |
Compound Image
2D Structure
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