Compound Information | SONAR Target prediction |
Name: | ERGONOVINE MALEATE |
Unique Identifier: | SPE01500277 |
MolClass: | Checkout models in ver1.5 and ver1.0 |
Molecular Formula: | |
Molecular Weight: | 415.271 g/mol |
X log p: | 9.483 (online calculus) |
Lipinksi Failures | 1 |
TPSA | 20.31 |
Hydrogen Bond Donor Count: | 0 |
Hydrogen Bond Acceptors Count: | 5 |
Rotatable Bond Count: | 4 |
Canonical Smiles: | CC(CO)NC(=O)C1CN(C)C2Cc3cnc4cccc(C2=C1)c34.OC(=O)C=CC(O)=O |
Class: | alkaloid |
Source: | ergot and Convolvulvaceae spp |
Therapeutics: | oxytocic, 5HT antagonist |