4-(7,7-dimethylfuro[2,3-f]chromen-2-yl)benzene-1,3-diol
CNP0568818.0 · C19H16O4 · View on COCONUT ↗
Identifiers
| Name | 4-(7,7-dimethylfuro[2,3-f]chromen-2-yl)benzene-1,3-diol |
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| IUPAC Name | 4-(7,7-dimethylfuro[2,3-f]chromen-2-yl)benzene-1,3-diol |
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| COCONUT ID | CNP0568818.0 |
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| InChIKey | UGUIWCHMSBSERW-UHFFFAOYSA-N |
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| InChI | InChI=1S/C19H16O4/c1-19(2)8-7-14-16(23-19)6-3-11-9-17(22-18(11)14)13-5-4-12(20)10-15(13)21/h3-10,20-21H,1-2H3 |
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| SMILES | CC1(C)C=CC2=C(C=CC3=C2OC(C2=CC=C(O)C=C2O)=C3)O1 |
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Properties
| Molecular Formula | C19H16O4 |
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| Molecular Weight | 308.33 |
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| Exact Mass | 308.10486 |
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| Log P (ALogP) | 4.70 |
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| TPSA | 62.83 |
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| H-Bond Donors / Acceptors | 2 / 4 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.68 |
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| NP-likeness | 2.09 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Isoflavonoids |
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| NP Class | 2-arylbenzofurans |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | 2-arylbenzofuran flavonoids |
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| Chemical Subclass | 2-arylbenzofuran 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.
