5-[2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethyl]-3-(3-methylbut-2-enyl)benzene-1,2-diol
CNP0388311.0 · C24H30O4 · View on COCONUT ↗
Identifiers
| Name | 5-[2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethyl]-3-(3-methylbut-2-enyl)benzene-1,2-diol |
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| IUPAC Name | 5-[2-[3,5-dihydroxy-4-(3-methylbut-2-enyl)phenyl]ethyl]-3-(3-methylbut-2-enyl)benzene-1,2-diol |
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| COCONUT ID | CNP0388311.0 |
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| InChIKey | JRPUARBDPKCBGO-UHFFFAOYSA-N |
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| InChI | InChI=1S/C24H30O4/c1-15(2)5-9-19-11-17(14-23(27)24(19)28)7-8-18-12-21(25)20(22(26)13-18)10-6-16(3)4/h5-6,11-14,25-28H,7-10H2,1-4H3 |
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| SMILES | CC(C)=CCC1=CC(CCC2=CC(O)=C(CC=C(C)C)C(O)=C2)=CC(O)=C1O |
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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) | 5.31 |
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| TPSA | 80.92 |
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| H-Bond Donors / Acceptors | 4 / 4 |
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| Rotatable Bonds | 7 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.39 |
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| NP-likeness | 1.41 |
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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.
