CNP0611159.1
CNP0611159.1 · C20H30O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0611159.1 |
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| InChIKey | LZFDCBMHQQTGGI-GOEBONIOSA-N |
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| InChI | InChI=1S/C20H30O2/c1-12(2)15-11-13-8-9-16-14(7-6-10-20(16,3)4)17(13)18(21)19(15)22-5/h11-12,14,16,21H,6-10H2,1-5H3/t14-,16+/m0/s1 |
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| SMILES | COC1=C(C(C)C)C=C2CC[C@@H]3[C@H](CCCC3(C)C)C2=C1O |
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Properties
| Molecular Formula | C20H30O2 |
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| Molecular Weight | 302.46 |
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| Exact Mass | 302.22458 |
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| Log P (ALogP) | 5.38 |
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| TPSA | 29.46 |
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| H-Bond Donors / Acceptors | 1 / 2 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.79 |
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| NP-likeness | 2.00 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Diterpenoids |
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| NP Class | Abietane diterpenoids |
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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.
