Conduritol A
CNP0232122.3 · C6H10O4 · View on COCONUT ↗
Identifiers
| Name | Conduritol A |
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| IUPAC Name | (1~{S},2~{R},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol |
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| COCONUT ID | CNP0232122.3 |
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| CAS | 526-87-4, 351885-26-2 |
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| InChIKey | LRUBQXAKGXQBHA-GUCUJZIJSA-N |
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| InChI | InChI=1S/C6H10O4/c7-3-1-2-4(8)6(10)5(3)9/h1-10H/t3-,4+,5+,6- |
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| SMILES | O[C@@H]1[C@H](O)[C@@H](O)C=C[C@H]1O |
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Properties
| Molecular Formula | C6H10O4 |
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| Molecular Weight | 146.14 |
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| Exact Mass | 146.05791 |
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| Log P (ALogP) | -2.00 |
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| TPSA | 80.92 |
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| H-Bond Donors / Acceptors | 4 / 4 |
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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 | 0.30 |
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| NP-likeness | 1.68 |
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Classification
| NP Pathway | Carbohydrates |
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| NP Superclass | Polyols |
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| NP Class | Cyclitols |
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| Chemical Superclass | Organic oxygen compounds |
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| Chemical Class | Organooxygen compounds |
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| Chemical Subclass | Alcohols and polyols |
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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.
