gamma-Diasarone
CNP0125521.1 · C24H32O6 · View on COCONUT ↗
Identifiers
| Name | gamma-Diasarone |
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| IUPAC Name | (1~{R},2~{R},3~{R})-1-ethyl-4,5,7-trimethoxy-2-methyl-3-(2,4,5-trimethoxyphenyl)indane |
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| COCONUT ID | CNP0125521.1 |
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| CAS | 80434-33-9 |
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| InChIKey | ZPOQFZFDKXZAGL-ZMOMAAQPSA-N |
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| InChI | InChI=1S/C24H32O6/c1-9-14-13(2)21(15-10-17(26-4)18(27-5)11-16(15)25-3)23-22(14)19(28-6)12-20(29-7)24(23)30-8/h10-14,21H,9H2,1-8H3/t13-,14-,21-/m1/s1 |
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| SMILES | CC[C@H]1C2=C(OC)C=C(OC)C(OC)=C2[C@@H](C2=CC(OC)=C(OC)C=C2OC)[C@@H]1C |
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Properties
| Molecular Formula | C24H32O6 |
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| Molecular Weight | 416.51 |
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| Exact Mass | 416.21989 |
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| Log P (ALogP) | 5.01 |
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| TPSA | 55.38 |
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| H-Bond Donors / Acceptors | 0 / 6 |
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| Rotatable Bonds | 8 |
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| Lipinski's Rule of 5 Violations | 1 |
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| QED Drug-likeness | 0.60 |
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| NP-likeness | 0.57 |
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Classification
| NP Pathway | Shikimates and Phenylpropanoids |
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| NP Superclass | Lignans |
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| NP Class | Minor lignans |
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| Chemical Superclass | Benzenoids |
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| Chemical Class | Indanes |
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| Chemical Subclass | Indanes |
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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.
