Grundinformationen
- CAS
537-09-7- Standard-SMILES
COc1cc(C)c(C(=O)Oc2cc(C)c(C(=O)O)c(O)c2)c(O)c1- InChIKey
GODLCSLPZIBRMG-UHFFFAOYSA-N- Summenformel
- C17H16O7
- Durchschnittliche Molmasse
- 332,3 g/mol
- Monoisotopische Masse
- 332,08960285
Überblick
2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylphenyl)-oxomethoxy]-6-methylbenzoic acid is a carbonyl compound.
Namen und Bezeichner
- Bevorzugter Name
- Evernic Acid
- IUPAC
- 2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acid
- Lokaler Name
- 4-[(4-Methoxy-6-methylsalicyloyl)oxy]-6-methylsalicylsure
- Englischer Name
- Evernic acid
- Summenformel
- C17H16O7
- Molmasse
- 332.3
Namen und Synonyme
Evernic acid537-09-72-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy-6-methylbenzoic acidDTXSID202019562EQ5W5403JNSC-81164Benzoic acid, 2-hydroxy-4-((2-hydroxy-4-methoxy-6-methylbenzoyl)oxy)-6-methyl-4-((4-Methoxy-6-methylsalicyloyl)oxy)-6-methylsalicylic acid2,6-CRESOTIC ACID, 4-METHOXY-, 4-ESTER with 6-METHYL-beta-RESORCYLATE2,6-Cresotic acid, 4-methoxy-, 4-ester with 6-methyl-beta-resorcylic acid4-[(4-methoxy-6-methylsalicyloyl)oxy]-6-methylsalicylic acidBenzoic acid, 2-hydroxy-4-[(2-hydroxy-4-methoxy-6-methylbenzoyl)oxy]-6-methyl-
Weitere Namen anzeigen
Nsc81164Evernic Acid (NSC 81164)EVERNIC ACID YELLOW CRYSTALSorsellinic acid 4-everninateWln: qr cq E1 dvovr bq F1 do16-cresoticacid,4-methoxy-4-esterwith6-methyl-beta-resorcylate6-cresoticacid,4-methoxy-4-esterwith6-methyl-beta-resorcylicacid
RefChem:139669DTXCID50124447208-658-2MFCD00045824Lecanoric acid methyl ether2-Hydroxy-4-((2-hydroxy-4-methoxy-6-methylbenzoyl)oxy)-6-methylbenzoic acid2-hydroxy-4-(2-hydroxy-4-methoxy-6-methylbenzoyloxy)-6-methylbenzoic acid2-Hydroxy-4-[2-hydroxy-4-methoxy-6-methylbenzoyloxy]-6-methylbenzoic acid
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4
- Polarare Oberfläche (TPSA)
- 113 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 7
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 24
- Formalladung
- 0
- Komplexität
- 466
Experimentelle und physikochemische Eigenschaften
Endocrine DisruptorsPotential endocrine disrupting compound
Physikochemische Eigenschaften
- Schmelzpunkt
- 166 · 166-167°C
- Löslichkeit
- 10 mg/ml; · DMF: 10 mg/ml; DMSO: 10 mg/ml; DMSO:PBS (pH 7.2) (1:1): 0.5 mg/ml; Ethanol: 0.5 mg/ml
- Aggregatzustand
- A crystalline solid
- Farbe
- White to off-white
- LogP
- 5.03 · 5.030 (est)
Chemie und Industrie
Anwendungen
BeschreibungEvernic acid is a secondary metabolite produced by some species of lichen that can bind to allosteric sites on the protein surface of FAS-II enzymes and produce antibacterial and antiplasmodial effects. It inhibits two key plasmodial FAS-II enzymes PfFabZ and PfFabI (IC50 = 10.7 and 36.1 μM, respectively) but shows low efficacy against the malaria parasite P. berghei (IC50 = 77.3 μM).
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上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
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