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Chemical Molecules
Molecule Details
| Molecule ID | MOL17 | ||
| Compound Name | pimara-7,15-dien-3-one | ||
| ⤓Download 2D Structure File | ⤓Download 3D Structure File | View Structure Image |
Structure Image
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Primary Details
| Compound Name | pimara-7,15-dien-3-one |
| Synonym Name | YAXFLCDQLAZOPS-UHFFFAOYSA-N, Podocarp-7-en-3-one, 13.beta.-methyl-13-vinyl- |
| CAS ID | Nil |
| IUPAC Name | 7-ethenyl-1,1,4a,7-tetramethyl-3,4,4b,5,6,8,10,10a-octahydrophenanthren-2-one |
| Molecular Formula | |
| Chemical Safety | Nil |
| External Database ID | 625348 |
| Inchi | InChI=1S/C20H30O/c1-6-19(4)11-9-15-14(13-19)7-8-16-18(2,3)17(21)10-12-20(15,16)5/h6-7,15-16H,1,8-13H2,2-5H3 |
| INCHI Key | YAXFLCDQLAZOPS-UHFFFAOYSA-N |
| Canonical SMILES | CC1(C2CC=C3CC(CCC3C2(CCC1=O)C)(C)C=C)C |
| Molecule Type | Natural |
| Group | Phytochemicals |
| Sub-Group 1 | Terpenoids (Isoprenoids) |
| Sub-Group 2 | Diterpenes |
| Sub-Group 3 | - |
| Sub-Group 4 | - |
| Sub-Group 5 | - |
| Description |
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Chemical & Physical Properties
| Molecular Weight | 286.5 g/mol |
| LogP (Octanol-Water) | 5.04 |
| Hydrogen Donor Count | 0 |
| Bond Acceptor Count | 1 |
| Rotable Bond Count | 1 |
| Topological Surface Area | 17.1 Ų |
| Heavy Atom Count | |
| Melting Point | Nil |
| Boiling Point | Nil |
| Water Solubility | Nil |
| Henry's Law Constant | Nil |
| pKa Dissociation Constant | Nil |
| Vapour Pressure | Nil |
| Molecule Density | Nil |
| Molecule Stability | Nil |
| Kovats retention Index | |
| Physical Description |
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Spectra Information
Biological Activities
| Activity Name | Nil |
| Molecule Target | Nil |
| Comment |
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| References |
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