CNP0328332.1
CNP0328332.1 · C25H24O7 · View on COCONUT ↗
Identifiers
| COCONUT ID | CNP0328332.1 |
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| InChIKey | DGCFXQUMVMDPKH-KOSHJBKYSA-N |
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| InChI | InChI=1S/C25H24O7/c1-14(26)30-20-11-10-17-19(28)12-21(16-8-6-5-7-9-16)32-23(17)22(20)18-13-29-25(3,4)24(18)31-15(2)27/h5-12,18,24H,13H2,1-4H3/t18-,24+/m1/s1 |
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| SMILES | CC(=O)OC1=CC=C2C(=O)C=C(C3=CC=CC=C3)OC2=C1[C@H]1COC(C)(C)[C@H]1OC(C)=O |
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Properties
| Molecular Formula | C25H24O7 |
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| Molecular Weight | 436.46 |
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| Exact Mass | 436.15220 |
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| Log P (ALogP) | 4.21 |
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| TPSA | 92.04 |
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| H-Bond Donors / Acceptors | 0 / 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 | 0.45 |
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| NP-likeness | 1.53 |
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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 | |
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| Chemical Class | |
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| Chemical Subclass | |
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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.
