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HCID 10149Erstellt: 2. November 2026
Javanicin
HSDB3501 · HSDB-3501 · javanicin · Yavanicin · HSDB 3501 · BRN 2296055 · Javanicin (Fusarium) · 3-Acetonyl-5,8-dihydroxy-6-methoxy-2-methyl-1,4-naphthoquinone
https://huagongshe.com/de/chemical/10149
Identifikatoren & physikalische Daten
| CAS No. | 476-45-9 |
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| Summenformel | C15H14O6 |
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| Durchschnittliche Molmasse | 290,27 g/mol |
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| Monoisotopische Masse | 290,07903816 g/mol |
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| SMILES | COC1=CC(=O)c2c(O)c(C)c(CC(C)=O)c(O)c2C1=O |
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| InChIKey | UHPMCKVQTMMPCG-UHFFFAOYSA-N |
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| PubChem CID | 10149 |
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| ChEMBL | CHEMBL1224810 |
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| ChEBI | CHEBI:209872 |
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| DTXSID | DTXSID40963882 |
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Chemische & physikalische Eigenschaften
| XLogP | 2 |
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| Polarare Oberfläche (TPSA) | 101 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 508 |
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| SpringerMaterials Properties | Chemical shift |
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| Color/Form | RED CRYSTALS WITH COPPERY LUSTER FROM ETHANOL |
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| Löslichkeit | SOL IN ALKALIS |
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| Other Experimental Properties | DECOMP @ 207.5-208 °C |
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| Schmelzpunkt | 208°C (rough estimate) |
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| Siedepunkt | 352.36°C (rough estimate) |
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| Dichte | 1.2451 (rough estimate) |
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| Brechungsindex | 1.4359 (estimate) |
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| pKa (Säurekonstante) | 6.88±0.20(Predicted) |
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| LogP (Verteilungskoeffizient) | 1.510 (est) |
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Sicherheit & Vorschriften
| Special Reports | TOXIC EFFECTS & STRUCTURAL FORMULAS ARE DISCUSSED.[KERN HPHYTOTOXINS PRODUCED BY FUSARIAPHYTOTOXINS PLANT DIS, PROC NATO ADVAN STUDY INST: 35 (1972)] |
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| Wechselwirkungen | THE TOXIC ACTION TO PLANTS WAS REDUCED OR ABOLISHED BY ORGANIC ACIDS (PARTICULARLY GLUTAMIC ACID) & BY METAL IONS (PARTICULARLY COPPER). |
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| Natural Pollution Sources | ANTIBIOTIC SUBSTANCE PRODUCED BY FUSARIUM JAVANICUM: ARNSTEIN, COOK, J CHEM SOC 1947, 1021. |
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| Non-Human Toxicity Excerpts | A DOSE OF 60 MG/KG JAVANICIN PRODUCED PHYTOTOXIC EFFECTS IN PEAS & TOMATO PLANTS. 50% ALPHA-DECARBOXYLASE ACTIVITY WAS INHIBITED BY 105X10-6 MOLAR CONCN. |
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| Gefahrstoffdaten | 476-45-9(Hazardous Substances Data) |
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