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Grundinformationen
- CAS
486-35-1- Standard-SMILES
O=c1ccc2ccc(O)c(O)c2o1- InChIKey
ATEFPOUAMCWAQS-UHFFFAOYSA-N- Summenformel
- C9H6O4
- Durchschnittliche Molmasse
- 178,143 g/mol
- Monoisotopische Masse
- 178,02660867
Namen und Bezeichner
- Bevorzugter Name
- Daphnetin
- IUPAC
- 7,8-Dihydroxy-2H-1-benzopyran-2-one
- Lokaler Name
- 7,8-Dihydroxycumarin
- Englischer Name
- 7,8-Dihydroxycoumarin
- Summenformel
- C9H6O4
- Molmasse
- 178.14
Namen und Synonyme
DAPHNETINDaphenetinDaphetinDaphnetolAKOS 213-37DAPHNETIN(P)Daphnetin>Daphnetin-RMDaphnetin, 97%+Daphnetin,HPLC≥98%
Datenbank-Bezeichner
- CAS
486-35-1- PubChem CID
- 5280569
- DTXSID
DTXSID00197560- ChEMBL
CHEMBL244948- ChEBI
CHEBI:17313- UNII
- XC84571RD2
- EC Number
- 207-632-8
- Nikkaji
- J6.008I
Eigenschaften
Physikochemische Eigenschaften
- Schmelzpunkt
- 265 · 265-268°C (dec.)
- Siedepunkt
- 270.35 °C · 270.35°C (rough estimate)
- Dichte
- 1.3431 · 1.3431 (rough estimate)
- Brechungsindex
- 1.45 · 1.4500 (estimate)
- storage temp.
- room temp
- Löslichkeit
- soluble in Methanol
- Aggregatzustand
- solid
- pka
- 7.61 · 7.61±0.20(Predicted)
- Farbe
- White to Light yellow to Light red
- Biologische Quelle
- synthetic (organic)
- Merck
- 14 · 14,2817
- Kosmetik-Inhaltsstoffe Funktionen
- SKIN CONDITIONING
- InChI
- InChI=1S/C9H6O4/c10-6-3-1-5-2-4-7(11)13-9(5)8(6)12/h1-4,10,12H
- InChIKey
- ATEFPOUAMCWAQS-UHFFFAOYSA-N
- SMILES
- C1(=O)OC2=C(O)C(O)=CC=C2C=C1
- LogP
- 0.884 · 0.884 (est)
- CAS Datenbank
- 486 · 486-35-1(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
Sicherheitsdaten
- wgk
- 2
- hs_code
- 29322090
- RTECS-Nr.
- GN6382600
- risk_code
- 25-36/37/38-20/21
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26-36/37/39
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Anwendungen
BeschreibungDaphnetin, mainly extracted from Yu Ruixiang Changbai Daphne (Daphne Korean Nakai), Daphne giraldii Nitsche bark, and root bark, is the main efficacy component of the plants D.tangutica Maxim and D.retttsa Hemsl. Changbai daphnes has the pharmacological effects of warming the spleen and stomach, relaxing the muscles and joints, and promoting circulation. In TCM, it’s commonly used as medicines for treatment of injuries. Because Changbai daphne is a pungent and warm natured herbal medicine, it was used to warm the spleen and stomach by dispelling cold.
HistoryChangbai daphne, a Chinese traditional medicine in clinic, is mainly used for treatment of coronary heart disease, rheumatoid arthritis, thromboangiitis obliterans, etc. Changbai daphne belongs to the first-class protective plants in Jilin province in China, and the rarity restricted the drug development. Scientists tried to find the effective components of Changbai daphne. In 1977, scientists of phytochemistry research group in the Traditional Chinese Medicine research laboratory from Jilin institute of Chinese medicine first successfully isolated the crystalline monomer– daphnetin– from the plant. Pharmacological results show that the pharmacological activities of this crystal are equal to Changbai daphne, which suggested the crystal is the main active ingredient . Through the condensation reaction experiment using equimolecular pyrogallic acid, malic acid, and twice the amount of sulfuric acid, under heating reaction, scientists successfully got pale yellow needle daphnetin crystals. From then on artificially synthesized daphnetin has been successfully implemented . A large-scale industrial production can be acquired. The followup researches on the metabolism and pharmacological activity of daphnetin were carried out. In 2009, the State Food and Drug Administration of China approved daphnetin capsule to be used in the clinical.
VerwendenDaphnetin is a natural coumarin derivative providing anti-inflammatory and protective properties to those suffering from lung injury.
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