(+)-Tephrosone
CNP0243402.2 · C21H20O5 · View on COCONUT ↗
Identifiers
| Name | (+)-Tephrosone |
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| IUPAC Name | (~{E})-1-[(1~{S},3~{a}~{R},8~{b}~{S})-1,8-dihydroxy-2,2-dimethyl-3~{a},8~{b}-dihydro-1~{H}-furo[2,3-b]benzofuran-7-yl]-3-phenyl-prop-2-en-1-one |
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| COCONUT ID | CNP0243402.2 |
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| InChIKey | BIKNREOOENVYGF-ZLMOQVSZSA-N |
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| InChI | InChI=1S/C21H20O5/c1-21(2)19(24)17-16-15(25-20(17)26-21)11-9-13(18(16)23)14(22)10-8-12-6-4-3-5-7-12/h3-11,17,19-20,23-24H,1-2H3/b10-8+/t17-,19-,20+/m0/s1 |
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| SMILES | CC1(C)O[C@H]2OC3=CC=C(C(=O)/C=C/C4=CC=CC=C4)C(O)=C3[C@H]2[C@@H]1O |
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Properties
| Molecular Formula | C21H20O5 |
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| Molecular Weight | 352.39 |
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| Exact Mass | 352.13107 |
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| Log P (ALogP) | 3.26 |
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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 | 0 |
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| QED Drug-likeness | 0.65 |
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| NP-likeness | 1.74 |
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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 | Phenylpropanoids and polyketides |
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| Chemical Class | Cinnamic acids and derivatives |
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| Chemical Subclass | Cinnamic acids and derivatives |
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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.
