CNP0313906.2
CNP0313906.2 · C26H32O5 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0313906.2 |
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| InChIKey | HWJXKLRHGKKFBY-SOFGYWHQSA-N |
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| InChI | InChI=1S/C26H32O5/c1-15(2)6-8-19-22(27)11-10-18(25(19)28)17-12-21-24(31-14-17)13-23(30-5)20(26(21)29)9-7-16(3)4/h6-8,10-11,13,15,17,27-29H,9,12,14H2,1-5H3/b8-6+ |
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| SMILES | COC1=CC2=C(CC(C3=CC=C(O)C(/C=C/C(C)C)=C3O)CO2)C(O)=C1CC=C(C)C |
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Properties
| Molecular Formula | C26H32O5 |
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| Molecular Weight | 424.54 |
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| Exact Mass | 424.22497 |
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| Log P (ALogP) | 5.71 |
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| TPSA | 79.15 |
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| H-Bond Donors / Acceptors | 3 / 5 |
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| Rotatable Bonds | 6 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.52 |
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| NP-likeness | 2.07 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Isoflavonoids |
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| NP Class | |
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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.
