CNP0288806.1
CNP0288806.1 · C15H22 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0288806.1 |
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| InChIKey | VKUJZPYJXUSOEW-AATRIKPKSA-N |
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| InChI | InChI=1S/C15H22/c1-12(2)6-5-7-14(4)15-10-8-13(3)9-11-15/h5-6,8-12,14H,7H2,1-4H3/b6-5+ |
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| SMILES | CC1=CC=C(C(C)C/C=C/C(C)C)C=C1 |
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Properties
| Molecular Formula | C15H22 |
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| Molecular Weight | 202.34 |
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| Exact Mass | 202.17215 |
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| Log P (ALogP) | 4.70 |
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| TPSA | 0.00 |
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| H-Bond Donors / Acceptors | 0 / 0 |
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| Rotatable Bonds | 4 |
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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 | 0.70 |
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Classification
| NP Pathway | Terpenoids |
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| NP Superclass | Sesquiterpenoids |
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| NP Class | Bisabolane 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.
