5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyron

Tangeretin

HCID 68077CAS 481-53-8
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Grundinformationen

Standard-SMILES
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1
InChIKey
ULSUXBXHSYSGDT-UHFFFAOYSA-N
Summenformel
C20H20O7
Durchschnittliche Molmasse
372,4 g/mol
Monoisotopische Masse
372,12090298

Überblick

Tangeretin is a pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. It has a role as an antineoplastic agent and a plant metabolite.

Namen und Bezeichner

Bevorzugter Name
Tangeretin
IUPAC
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
Lokaler Name
5,6,7,8-Tetramethoxy-2-(4-methoxyphenyl)-4-benzopyron
Englischer Name
Tangeretin
Summenformel
C20H20O7
Molmasse
372.37

Namen und Synonyme

Tangeretin481-53-8TangeritinPonkanetinPentamethoxyflavone4',5,6,7,8-Pentamethoxyflavone5,6,7,8,4'-Pentamethoxyflavone5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one4H-1-Benzopyran-4-one, 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-2-(4-Methoxyphenyl)-5,6,7,8-tetramethoxy-4H-1-benzopyran-4-oneI4TLA1DLX65,6,7,8-tetramethoxy-2-(4-methoxyphenyl)-4H-1-benzopyran-4-one
Weitere Namen anzeigen
Cnidium MonnieriNSC 53909angeretinNSC 618905TANGARETIN
DTXSID30197417NSC539094',5,6,7,8-pentamethoxy-flavoneNSC-53909NSC-618905CHEBI:9400NSC618905RefChem:51834

Datenbank-Bezeichner

CAS
481-53-8
PubChem CID
68077
DTXSID
DTXSID30197417
ChEMBL
CHEMBL73930
ChEBI
CHEBI:9400
UNII
I4TLA1DLX6
EC Number
207-570-1
Nikkaji
J12.348J

Eigenschaften

Berechnete Struktureigenschaften

XLogP
3
Polarare Oberfläche (TPSA)
72,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
7
Frei drehbare Bindungen
6
Schwere Atome
27

Experimentelle und physikochemische Eigenschaften

Chemical ClassesAntioxidant
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]
Melting Point154 °C
Physical DescriptionSolid
Collision Cross Section · 4 Einträge

208.15 Ų [M+Na]+ [CCS Type: DT; Method: stepped-field]

182 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

181.35 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

186.7 Ų [M+H]+

Physikochemische Eigenschaften

Schmelzpunkt
153 to · 153.0 to 157.0 °C
Siedepunkt
565.3 · 565.3±50.0 °C(Predicted)
Dichte
1.244 · 1.244±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
25 mg/mL · DMSO : 25 mg/mL (67.14 mM; Need ultrasonic)
Aggregatzustand
Solid

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H300 (97.5%): Fatal if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 2 (97.5%)

Sicherheitsdaten

wgk
3
ridadr
UN 2811
hs_code
29329990
RTECS-Nr.
DJ3102725
risk_code
25-36/37/38
Toxizität
rat,LD50,intraperitoneal,> 1gm/kg (1000mg/kg),Advances in Teratology. Vol. 3, Pg. 181, 1968.

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesTangeretin has known human metabolites that include 4'-Hydroxy-5,6,7,8-tetramethoxyflavone and 5,6-Dihydroxy-7,8,4'-trimethoxyflavone.
Cellular LocationsMembrane
Anwendungen · 1 Eintrag

VerwendenTangeretin has been used as an antioxidant and antifungal agent to test its effects on ferroptosis inhibition, conidial development, and appressorium formation against Magnaporthe oryzae. It has also been used as a co-chemotherapeutics agent to study its cytotoxic effects in combination with 5-Fluorouracil (5-Fu) on WiDr colon cancer cells.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Anbieter50 Anbieter

北京华美互利生物化工010-56205725 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
河北创海生物科技有限公司+86-86-13131129325 · [email protected]
上海如吉生物科技发展有限公司+86-21-65211385-8001 36031160 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: Tangeretin is a pentamethoxyflavone flavone with methoxy groups at positions 4', 5, 6 , 7 and 8. It has a role as an antineoplastic agent and a plant metabolite.

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