4697-66-9
Product Name:
Indolo2,3-aquinolizine-2-acetic acid, 3-ethenyl-1,2,3,4,6,7,12,12b-octahydro-8-methoxy-.alpha.-(methoxymethylene)-, methyl ester, (.alpha.E,2S,3R,12bS)-
Formula:
C23H28N2O4
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 396.5 g/mol |
|---|---|
| XLogP3 | 3.2 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 396.20490738 g/mol |
| Monoisotopic Mass | 396.20490738 g/mol |
| Topological Polar Surface Area | 63.8 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 651 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 3 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Paynantheine is a natural product found in Mitragyna speciosa with data available.