TL;DR: Illicinolide A (CAS 131917-04-9) is a chemical compound with molecular formula C16H24O8 and molecular weight 344.14713 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,4,5,7-tetrahydroxy-8-methoxy-2,6-dimethyl-9,13-dioxatetracyclo[10.2.1.01,5.06,11]pentadecan-14-one
Also Known As: Illicinolide A, 1,9,10,10a-Tetrahydroxy-2-methoxy-8,10b-dimethyloctahydro-2H,4H,7H-5,7a-methanocyclopenta[c]pyrano[4,3-e]oxepin-7-one
| Molecular Formula | C16H24O8 |
| Molecular Weight | 344.14713 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 126.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 344.14713 Da |
| Heavy Atoms | 24 |
| Complexity | 582.0 |
| SMILES | CC1C(C(C2(C13CC(C4C2(C(C(OC4)OC)O)C)OC3=O)O)O)O |
| InChIKey | FTEPWQXVCSWSSU-UHFFFAOYSA-N |
The XLogP value of -1.7 indicates that Illicinolide A is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Illicinolide A. Following Lipinski's Rule of Five, Illicinolide A has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Illicinolide A is 131917-04-9.
The molecular formula of Illicinolide A is C16H24O8.
The molecular weight of Illicinolide A is 344.14713 g/mol.
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