Licoleafol
CNP0285157.1 · C20H20O7 · View on COCONUT ↗
Identifiers
| Name | Licoleafol |
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| IUPAC Name | (2~{S})-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-[(~{E})-4-hydroxy-3-methyl-but-2-enyl]chroman-4-one |
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| COCONUT ID | CNP0285157.1 |
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| InChIKey | CIJATEIGJFIOPE-OUOXKOSGSA-N |
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| InChI | InChI=1S/C20H20O7/c1-10(9-21)2-4-12-14(23)7-16(25)19-17(26)8-18(27-20(12)19)11-3-5-13(22)15(24)6-11/h2-3,5-7,18,21-25H,4,8-9H2,1H3/b10-2+/t18-/m0/s1 |
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| SMILES | C/C(=C\CC1=C(O)C=C(O)C2=C1O[C@H](C1=CC=C(O)C(O)=C1)CC2=O)CO |
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Properties
| Molecular Formula | C20H20O7 |
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| Molecular Weight | 372.37 |
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| Exact Mass | 372.12090 |
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| Log P (ALogP) | 2.70 |
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| TPSA | 127.45 |
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| H-Bond Donors / Acceptors | 5 / 7 |
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| Rotatable Bonds | 4 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.41 |
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| NP-likeness | 2.38 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Flavanones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | Flavans |
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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.
