COMPUTED DESCRIPTORS
| Molecular Weight | 428.6 g/mol |
|---|---|
| XLogP3 | 6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 4 |
| Exact Mass | 428.29265975 g/mol |
| Monoisotopic Mass | 428.29265975 g/mol |
| Topological Polar Surface Area | 60.4 Ų |
| Heavy Atom Count | 31 |
| Formal Charge | 0 |
| Complexity | 812 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 8 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
Scalaradial is a scalarane sesterterpenoid with formula C27H40O4. It is a natural product found in the marine sponges Spongia officinalis and Cacospongia mollior, and exhibits anti-inflammatory activity. It has a role as a marine metabolite, an animal metabolite, an anti-inflammatory agent, an apoptosis inducer, an EC 3.1.1.4 (phospholipase A2) inhibitor and a TRP channel blocker. It is a scalarane sesterterpenoid, a carbotetracyclic compound, an enal, an acetate ester and a dialdehyde.