7-(2,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one
CNP0535986.0 · C20H16O5 · View on COCONUT ↗
Identifiers
| Name | 7-(2,4-dihydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-8-one |
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| IUPAC Name | 7-(2,4-dihydroxyphenyl)-2,2-dimethyl-pyrano[3,2-g]chromen-8-one |
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| COCONUT ID | CNP0535986.0 |
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| InChIKey | BUIUNDUERSTKCN-UHFFFAOYSA-N |
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| InChI | InChI=1S/C20H16O5/c1-20(2)6-5-11-7-12-8-15(14-4-3-13(21)9-16(14)22)19(23)24-17(12)10-18(11)25-20/h3-10,21-22H,1-2H3 |
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| SMILES | CC1(C)C=CC2=CC3=C(C=C2O1)OC(=O)C(C1=CC=C(O)C=C1O)=C3 |
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Properties
| Molecular Formula | C20H16O5 |
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| Molecular Weight | 336.34 |
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| Exact Mass | 336.09977 |
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| Log P (ALogP) | 4.06 |
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| TPSA | 79.90 |
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| H-Bond Donors / Acceptors | 2 / 5 |
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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 | 0.66 |
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| NP-likeness | 1.82 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Coumarins |
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| NP Class | Pyranocoumarins |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Isoflavonoids |
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| Chemical Subclass | Isoflav-3-enes |
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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.
