Showing Metabocard for 3-O-acetyl-4'-O-demethylpapaveroxine (BASm0009777)
| Common Name | 3-o-acetyl-4'-o-demethylpapaveroxine |
|---|---|
| Description | A benzylisoquinoline alkaloid that is 8-hydroxy-2-methyl-6,7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline which is substituted at the 1-pro-R position by an (acetyloxy)(2-formyl-3,4-dimethoxyphenyl)methyl group. An intermediate in the biosynthesis of noscarpine in the opium poppy, Papaver somniferum. |
| Structure | |
| Molecular Formula | C23H25NO8 |
| Average Mass | 443.44700 |
| Monoisotopic Mass | Not Available |
| IUPAC Name | Not Available |
| Traditional Name | Not Available |
| CAS Registry Number | Not Available |
| SMILES | COc1ccc([C@H](OC(C)=O)[C@H]2c3c(cc4c(c3O)OCO4)CCN2C)c(C=O)c1OC |
| InChI Identifier | InChI=1S/C23H25NO8/c1-12(26)32-22(14-5-6-16(28-3)21(29-4)15(14)10-25)19-18-13(7-8-24(19)2)9-17-23(20(18)27)31-11-30-17/h5-6,9-10,19,22,27H,7-8,11H2,1-4H3/t19-,22+/m1/s1 |
| InChI Key | XKBBRFAPWMBHPG-KNQAVFIVSA-N |
| CHEBI ID | CHEBI:141643 |
| State | Not Available |
| Water Solubility | Not Available |
| logS | Not Available |
| pKa (Strongest Acidic) | Not Available |
| pKa (Strongest Basic) | Not Available |
| Hydrogen Acceptor Count | Not Available |
| Hydrogen Donor Count | Not Available |
| Rotatable Bond Count | Not Available |
| Physiological Charge | Not Available |
| Formal Charge | 0 |
| Polarizability | Not Available |