(+)-Tephrorin B
CNP0396544.1 · C30H28O6 · View on COCONUT ↗
Identifiers
| Name | (+)-Tephrorin B |
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| IUPAC Name | [(3~{S},4~{S})-4-[(2~{S})-7-hydroxy-4-oxo-2-phenyl-chroman-8-yl]-2,2-dimethyl-tetrahydrofuran-3-yl] (~{E})-3-phenylprop-2-enoate |
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| COCONUT ID | CNP0396544.1 |
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| InChIKey | QBEVDWJGVNNOGT-NTWNTOQNSA-N |
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| InChI | InChI=1S/C30H28O6/c1-30(2)29(36-26(33)16-13-19-9-5-3-6-10-19)22(18-34-30)27-23(31)15-14-21-24(32)17-25(35-28(21)27)20-11-7-4-8-12-20/h3-16,22,25,29,31H,17-18H2,1-2H3/b16-13+/t22-,25+,29+/m1/s1 |
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| SMILES | CC1(C)OC[C@H](C2=C(O)C=CC3=C2O[C@H](C2=CC=CC=C2)CC3=O)[C@@H]1OC(=O)/C=C/C1=CC=CC=C1 |
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Properties
| Molecular Formula | C30H28O6 |
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| Molecular Weight | 484.55 |
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| Exact Mass | 484.18859 |
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| Log P (ALogP) | 5.62 |
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| TPSA | 82.06 |
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| H-Bond Donors / Acceptors | 1 / 6 |
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| Rotatable Bonds | 5 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.37 |
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| NP-likeness | 1.65 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Flavonoids |
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| NP Class | Flavanones |
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| Chemical Superclass | Phenylpropanoids and polyketides |
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| Chemical Class | Flavonoids |
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| Chemical Subclass | Flavans |
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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.
