ISOGLABRATEPHRIN
CNP0224353.3 · C24H20O7 · View on COCONUT ↗
Identifiers
| Name | ISOGLABRATEPHRIN |
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| IUPAC Name | [(3'~{S},9~{S})-2',2'-dimethyl-4,5'-dioxo-2-phenyl-spiro[8~{H}-furo[2,3-h]chromene-9,4'-tetrahydrofuran]-3'-yl] acetate |
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| COCONUT ID | CNP0224353.3 |
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| InChIKey | QSNBHLXYLHVCLT-ZJSXRUAMSA-N |
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| InChI | InChI=1S/C24H20O7/c1-13(25)29-21-23(2,3)31-22(27)24(21)12-28-17-10-9-15-16(26)11-18(30-20(15)19(17)24)14-7-5-4-6-8-14/h4-11,21H,12H2,1-3H3/t21-,24-/m1/s1 |
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| SMILES | CC(=O)O[C@@H]1C(C)(C)OC(=O)[C@@]12COC1=CC=C3C(=O)C=C(C4=CC=CC=C4)OC3=C12 |
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Properties
| Molecular Formula | C24H20O7 |
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| Molecular Weight | 420.42 |
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| Exact Mass | 420.12090 |
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| Log P (ALogP) | 3.36 |
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| TPSA | 92.04 |
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| H-Bond Donors / Acceptors | 0 / 7 |
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| Rotatable Bonds | 2 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.59 |
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| NP-likeness | 1.23 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Flavones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | Flavonoids |
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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.
