773855-65-5
Product Name:
Pyrano[3,2-b]pyrrole-3,7-dione, 1,2-dihydro-2,6-dihydroxy-5-(1E)-1-propenyl-, (2R)- (9CI)
Formula:
C10H9NO5
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 223.18 g/mol |
|---|---|
| XLogP3 | -0.5 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 223.04807239 g/mol |
| Monoisotopic Mass | 223.04807239 g/mol |
| Topological Polar Surface Area | 95.9 Ų |
| Heavy Atom Count | 16 |
| Formal Charge | 0 |
| Complexity | 472 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 1 |
| 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
Pyranonigrin A is a member of the class of pyranopyrroles that is 2-[(1E)-prop-1-en-1-yl]-6,7-dihydropyrano[2,3-c]pyrrole-4,5-dione carrying two additional hydroxy substituents at positions 3 and 7. Originally isolated from Aspergillus niger. It has a role as an Aspergillus metabolite, a marine metabolite and an antioxidant. It is a pyranopyrrole, a gamma-lactam, an enol, a secondary alcohol and a cyclic ketone.