s-dihydrodaidzein
CNP0106768.1 · C15H12O4 · View on COCONUT ↗
Identifiers
| Name | s-dihydrodaidzein |
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| IUPAC Name | (3~{S})-7-hydroxy-3-(4-hydroxyphenyl)chroman-4-one |
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| COCONUT ID | CNP0106768.1 |
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| CAS | 879559-75-8 |
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| InChIKey | JHYXBPPMXZIHKG-CYBMUJFWSA-N |
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| InChI | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)13-8-19-14-7-11(17)5-6-12(14)15(13)18/h1-7,13,16-17H,8H2/t13-/m1/s1 |
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| SMILES | O=C1C2=CC=C(O)C=C2OC[C@@H]1C1=CC=C(O)C=C1 |
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Properties
| Molecular Formula | C15H12O4 |
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| Molecular Weight | 256.26 |
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| Exact Mass | 256.07356 |
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| Log P (ALogP) | 2.46 |
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| TPSA | 66.76 |
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| H-Bond Donors / Acceptors | 2 / 4 |
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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 | 0.82 |
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| NP-likeness | 1.33 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Isoflavonoids |
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| NP Class | Isoflavanones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Isoflavonoids |
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| Chemical Subclass | Isoflavans |
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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.
