(1S,9R)-beta-Hydrastine (Predicted)
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Basic Info
| FADB-China ID | P0182 |
| Molecular Name | (1S,9R)-beta-Hydrastine |
| Basis for prediction | Noscapine |
| Similarity (based on Tanimoto coefficient and ECFP6 fingerprint) | 0.7464 |
| Similarity (based on Tanimoto coefficient and Daylight fingerprint) | 0.9126 |
| Similarity (based on MCS) | 0.9333 |
| 2D Structure | |
| SMILES | COc1ccc2c(c1OC)C(=O)OC2C1c2cc3c(cc2CCN1C)OCO3 |
| CFM-ID 3.0 (Copy SMILES to the website's input box) | URL Link |
| Update Date | Jul 30, 2019 14:16 |
References
| Title | Data Sources |
|---|---|
| Source | ToxCast & Tox21 Chemicals |
| PubChem Link | URL Link |