CNP0300967.1
CNP0300967.1 · C25H24O5 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0300967.1 |
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| InChIKey | JIQHAMDPLDKKBS-FNORWQNLSA-N |
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| InChI | InChI=1S/C25H24O5/c1-24(2)12-10-18-21(29-24)8-6-17(22(18)28)19(26)7-5-15-13-16-9-11-25(3,4)30-23(16)20(27)14-15/h5-14,27-28H,1-4H3/b7-5+ |
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| SMILES | CC1(C)C=CC2=C(C=CC(C(=O)/C=C/C3=CC(O)=C4OC(C)(C)C=CC4=C3)=C2O)O1 |
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Properties
| Molecular Formula | C25H24O5 |
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| Molecular Weight | 404.46 |
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| Exact Mass | 404.16237 |
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| Log P (ALogP) | 5.36 |
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| TPSA | 75.99 |
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| H-Bond Donors / Acceptors | 2 / 5 |
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| Rotatable Bonds | 3 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.53 |
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| NP-likeness | 1.93 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Chalcones |
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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.
