CNP0219510.1
CNP0219510.1 · C15H24O2 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0219510.1 |
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| InChIKey | CPFGTXNXFPHSEY-XDQVBPFNSA-N |
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| InChI | InChI=1S/C15H24O2/c1-8(2)11-7-13(16)10(4)15-12(11)5-9(3)6-14(15)17/h5,8,11-14,16-17H,6-7H2,1-4H3/t11-,12-,13-,14+/m0/s1 |
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| SMILES | CC1=C[C@@H]2C(=C(C)[C@@H](O)C[C@H]2C(C)C)[C@H](O)C1 |
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Properties
| Molecular Formula | C15H24O2 |
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| Molecular Weight | 236.35 |
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| Exact Mass | 236.17763 |
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| Log P (ALogP) | 2.67 |
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| TPSA | 40.46 |
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| H-Bond Donors / Acceptors | 2 / 2 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.69 |
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| NP-likeness | 2.24 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Cadinane 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.
