TL;DR: Dysoxylin (CAS 114455-88-8) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1R,2R,5S,6S,9S,11R,12S,13S,14R,17R,22S)-6-(furan-3-yl)-13-hydroxy-1,5,12,17-tetramethyl-7,10,15,18-tetraoxahexacyclo[12.7.1.02,12.05,11.09,11.017,22]docos-20-ene-8,19-dione
Also Known As: Dysoxylin, 1-Guanidino-2-(4-imidazole)propionic acid, 3-(3-Furanyl)-4,5,5a,5b,9a,10,11a,11b,12,12a-decahydro-12-hydroxy-3a,5b,9a,12a-tetramethyl-3H-furo(2,3,4-jk)oxireno(4,4a)(2)benzopyrano(6,5-g)(2)benzoxepin-1,8(3aH,13aH)-dione (3S-(3alpha,3aalpha,5aalpha,5bbeta,9abeta,11abeta,11balpha,12alpha,2abeta,12cS*))-, 3H-Furo(2,3,4-jk)oxireno(4,4a)(2)benzopyrano(6,5-g)(2)benzoxepin-1,8(3aH,13aH)-dione, 3-(3-furanyl)-4,5,5a,5b,9a,10,11a,11b,12,12a-decahydro-12-hydroxy-3a,5b,9a,12a-tetramethyl-, (3S-(3alpha,3aalpha,5aalpha,5bbeta,9abeta,11abeta,11balpha,12alpha,2abeta,12cS*))-, (3S,3aS,5aR,5bR,9aR,11aR,11bS,12S,12aS,12bR,13aS)-3-(Furan-3-yl)-12-hydroxy-3a,5b,9a,12a-tetramethyl-4,5,5a,5b,9a,10,11a,11b,12,12a-decahydro-3H-furo[2,3,4-jk]oxireno[4,4a][2]benzopyrano[6,5-g][2]benzoxepine-1,8(3aH,13aH)-dione
| Molecular Formula | C26H30O8 |
| Molecular Weight | 470.19406 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 1 |
| Exact Mass | 470.19406 Da |
| Heavy Atoms | 34 |
| Complexity | 1010.0 |
| SMILES | C[C@@]12CC[C@@H]3[C@]4(C=CC(=O)O[C@@]5([C@@H]4[C@H]([C@H]([C@]3([C@@]16[C@H](O6)C(=O)O[C@H]2C7=COC=C7)C)O)OC5)C)C |
| InChIKey | TVLJKMICEJUYOB-XDZXTQRNSA-N |
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dysoxylin. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dysoxylin. Following Lipinski's Rule of Five, Dysoxylin has 1 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 Dysoxylin is 114455-88-8.
The molecular formula of Dysoxylin is C26H30O8.
The molecular weight of Dysoxylin is 470.19406 g/mol.
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