6H-benzo[c]chromen-6-one
CNP0380905.0 · C13H8O2 · View on COCONUT ↗
Identifiers
| Name | 6H-benzo[c]chromen-6-one |
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| IUPAC Name | benzo[c]chromen-6-one |
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| COCONUT ID | CNP0380905.0 |
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| CAS | 2005-10-9 |
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| InChIKey | TVKNXKLYVUVOCV-UHFFFAOYSA-N |
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| InChI | InChI=1S/C13H8O2/c14-13-11-7-2-1-5-9(11)10-6-3-4-8-12(10)15-13/h1-8H |
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| SMILES | O=C1OC2=CC=CC=C2C2=CC=CC=C12 |
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Properties
| Molecular Formula | C13H8O2 |
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| Molecular Weight | 196.20 |
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| Exact Mass | 196.05243 |
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| Log P (ALogP) | 2.95 |
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| TPSA | 30.21 |
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| H-Bond Donors / Acceptors | 0 / 2 |
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| Rotatable Bonds | 0 |
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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 | -0.02 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Coumarins |
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| NP Class | Isocoumarins |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Coumarins and derivatives |
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| Chemical Subclass | Coumarins and derivatives |
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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.
