Uralstilbene
CNP0342812.0 · C24H30O4 · View on COCONUT ↗
Identifiers
| Name | Uralstilbene |
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| IUPAC Name | 4-[2-[5-hydroxy-3-(3-methylbut-2-enoxy)-2-(3-methylbut-2-enyl)phenyl]ethyl]benzene-1,2-diol |
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| COCONUT ID | CNP0342812.0 |
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| CAS | 677709-69-2 |
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| InChIKey | BNTYXDBRBRYHOP-UHFFFAOYSA-N |
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| InChI | InChI=1S/C24H30O4/c1-16(2)5-9-21-19(8-6-18-7-10-22(26)23(27)13-18)14-20(25)15-24(21)28-12-11-17(3)4/h5,7,10-11,13-15,25-27H,6,8-9,12H2,1-4H3 |
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| SMILES | CC(C)=CCOC1=CC(O)=CC(CCC2=CC=C(O)C(O)=C2)=C1CC=C(C)C |
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Properties
| Molecular Formula | C24H30O4 |
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| Molecular Weight | 382.50 |
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| Exact Mass | 382.21441 |
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| Log P (ALogP) | 5.44 |
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| TPSA | 69.92 |
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| H-Bond Donors / Acceptors | 3 / 4 |
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| Rotatable Bonds | 8 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.42 |
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| NP-likeness | 1.67 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Stilbenoids |
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| NP Class | Monomeric stilbenes |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Stilbenes |
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| Chemical Subclass | Stilbenes |
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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.
