O-Methylmurrayamine A
CNP0330065.0 · C19H19NO2 · View on COCONUT ↗
Identifiers
| Name | O-Methylmurrayamine A |
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| IUPAC Name | 9-methoxy-3,3,5-trimethyl-11~{H}-pyrano[3,2-a]carbazole |
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| COCONUT ID | CNP0330065.0 |
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| CAS | 134779-20-7 |
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| InChIKey | GDQWCFKJPYSDDG-UHFFFAOYSA-N |
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| InChI | InChI=1S/C19H19NO2/c1-11-9-15-13-6-5-12(21-4)10-16(13)20-17(15)14-7-8-19(2,3)22-18(11)14/h5-10,20H,1-4H3 |
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| SMILES | COC1=CC=C2C(=C1)NC1=C3C=CC(C)(C)OC3=C(C)C=C12 |
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Properties
| Molecular Formula | C19H19NO2 |
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| Molecular Weight | 293.37 |
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| Exact Mass | 293.14158 |
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| Log P (ALogP) | 4.82 |
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| TPSA | 34.25 |
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| H-Bond Donors / Acceptors | 1 / 2 |
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| Rotatable Bonds | 1 |
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| Lipinski's Rule of 5 Violations | 0 |
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| QED Drug-likeness | 0.70 |
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| NP-likeness | 1.73 |
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Classification
| NP Pathway | Alkaloids |
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| NP Superclass | Tryptophan alkaloids |
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| NP Class | Carbazole alkaloids |
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| Chemical Superclass | Organoheterocyclic compounds |
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| Chemical Class | Indoles and derivatives |
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| Chemical Subclass | Carbazoles |
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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.
