3,5,5,9-tetramethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-ol
CNP0611345.0 · C15H26O · View on COCONUT ↗
Identifiers
| IUPAC Name | 3,5,5,9-tetramethyl-2,6,7,8,9,9a-hexahydro-1H-benzo[7]annulen-3-ol |
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| COCONUT ID | CNP0611345.0 |
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| InChIKey | FGNNTGXJBVXLET-UHFFFAOYSA-N |
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| InChI | InChI=1S/C15H26O/c1-11-6-5-8-14(2,3)13-10-15(4,16)9-7-12(11)13/h10-12,16H,5-9H2,1-4H3 |
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| SMILES | CC1CCCC(C)(C)C2=CC(C)(O)CCC21 |
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Properties
| Molecular Formula | C15H26O |
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| Molecular Weight | 222.37 |
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| Exact Mass | 222.19837 |
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| Log P (ALogP) | 3.92 |
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| TPSA | 20.23 |
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| H-Bond Donors / Acceptors | 1 / 1 |
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| Rotatable Bonds | 0 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.62 |
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| NP-likeness | 2.55 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Himachalane sesquiterpenoids |
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| Chemical Superclass | |
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| Chemical Class | |
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| Chemical Subclass | |
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Reported in GR-MAPs Plants
Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.
