Sylpin
CNP0255578.0 · C17H14O6 · View on COCONUT ↗
Identifiers
| Name | Sylpin |
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| IUPAC Name | 5,6-dihydroxy-2-(4-hydroxyphenyl)-3-methoxy-8-methyl-chromen-4-one |
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| COCONUT ID | CNP0255578.0 |
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| CAS | 65501-41-9 |
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| InChIKey | BUWDKAOCACVEON-UHFFFAOYSA-N |
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| InChI | InChI=1S/C17H14O6/c1-8-7-11(19)13(20)12-14(21)17(22-2)16(23-15(8)12)9-3-5-10(18)6-4-9/h3-7,18-20H,1-2H3 |
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| SMILES | COC1=C(C2=CC=C(O)C=C2)OC2=C(C)C=C(O)C(O)=C2C1=O |
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Properties
| Molecular Formula | C17H14O6 |
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| Molecular Weight | 314.29 |
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| Exact Mass | 314.07904 |
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| Log P (ALogP) | 2.89 |
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| TPSA | 100.13 |
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| H-Bond Donors / Acceptors | 3 / 6 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.63 |
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| NP-likeness | 1.34 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Flavonols |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | O-methylated flavonoids |
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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.
