TL;DR: Annuanone (CAS 1217743-31-1) is a chemical compound with molecular formula C20H32O3 and molecular weight 320.23514 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-hydroxy-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one
Also Known As: Annuanone, Stachysolone, 6-hydroxy-8-(3-hydroxy-3-methylpent-4-enyl)-4,4a,7,8-tetramethyl-5,6,7,8a-tetrahydro-1H-naphthalen-2-one, 4a,5,6,7,8,8a-Hexahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-pentenyl)-4,4a,7,8-tetramethylnaphthalen-2, 4a,5,6,7,8,8a-Hexahydro-6-hydroxy-8-(3-hydroxy-3-methyl-4-penten-1-yl)-4,4a,7,8-tetramethyl-2(1H)-naphthalenone
| Molecular Formula | C20H32O3 |
| Molecular Weight | 320.23514 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.23514 Da |
| Heavy Atoms | 23 |
| Complexity | 537.0 |
| SMILES | CC1C(CC2(C(C1(C)CCC(C)(C=C)O)CC(=O)C=C2C)C)O |
| InChIKey | JPZIPCONPIVLJB-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Annuanone. With a topological polar surface area (TPSA) of 57.5 Ų, Annuanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Annuanone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Annuanone is 1217743-31-1.
The molecular formula of Annuanone is C20H32O3.
The molecular weight of Annuanone is 320.23514 g/mol.
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