Gancaonin L
CNP0189243.0 · C20H18O6 · View on COCONUT ↗
Identifiers
| Name | Gancaonin L |
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| IUPAC Name | 3-(3,4-dihydroxyphenyl)-5,7-dihydroxy-8-(3-methylbut-2-enyl)chromen-4-one |
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| COCONUT ID | CNP0189243.0 |
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| CAS | 129145-50-2 |
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| InChIKey | WSOHPJFMARQRFD-UHFFFAOYSA-N |
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| InChI | InChI=1S/C20H18O6/c1-10(2)3-5-12-15(22)8-17(24)18-19(25)13(9-26-20(12)18)11-4-6-14(21)16(23)7-11/h3-4,6-9,21-24H,5H2,1-2H3 |
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| SMILES | CC(C)=CCC1=C(O)C=C(O)C2=C1OC=C(C1=CC=C(O)C(O)=C1)C2=O |
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Properties
| Molecular Formula | C20H18O6 |
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| Molecular Weight | 354.36 |
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| Exact Mass | 354.11034 |
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| Log P (ALogP) | 3.79 |
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| TPSA | 111.13 |
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| H-Bond Donors / Acceptors | 4 / 6 |
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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 | 0.42 |
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| NP-likeness | 1.95 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Isoflavonoids |
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| NP Class | Isoflavones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Isoflavonoids |
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| Chemical Subclass | Isoflav-2-enes |
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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.
