Tangeretin (HCID 68077)

概要

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.

名称と識別子

優先名称: Tangeretin
IUPAC: 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
現地名: タンゲレチン
英語名: Tangeretin
分子式: C20H20O7
分子量: 372.37

名称と別名

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

名称をさらに表示

ポンカネチン5,6,7,8-テトラメトキシ-2-(4-メトキシフェニル)-4H-1-ベンゾピラン-4-オン4',5,6,7,8-ペンタメトキシフラボンタンゲレチンタンゲリチン5,6,7,8-テトラメトキシ-2-(4-メトキシフェニル)-4H-クロメン-4-オン5,6,7,8,4′-ペンタメトキシフラボン4′,5,6,7,8-ペンタメトキシフラボン3′-デメトキシノビレチン2-(4-メトキシフェニル)-5,6,7,8-テトラメトキシ-γ-クロメン-4-オン2-(4-メトキシフェニル)-5,6,7,8-テトラメトキシ-4H-1-ベンゾピラン-4-オンCnidium MonnieriNSC 53909angeretinNSC 618905TANGARETIN

DTXSID30197417NSC539094',5,6,7,8-pentamethoxy-flavoneNSC-53909NSC-618905CHEBI:9400NSC618905RefChem:51834

データベース識別子

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

物性

構造計算による物性

XLogP: 3
極性表面積: 72.5 Å²
水素結合供与体数: 0
水素結合受容体数: 7
回転可能結合数: 6
重原子数: 27
形式電荷: 0
複雑度: 540

実験および物理化学的性質

Chemical ClassesAntioxidant

LipidsPolyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211]

Melting Point154 °C

Physical DescriptionSolid

Collision Cross Section · 4 件

208.15 Å² [M+Na]+ [CCS Type: DT; Method: stepped-field]

182 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

181.35 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

186.7 Å² [M+H]+

物理化学的性質

融点: 153 to · 153.0 to 157.0 °C
沸点: 565.3 · 565.3±50.0 °C(Predicted)
比重(密度): 1.244 · 1.244±0.06 g/cm3(Predicted)
貯蔵温度: Sealed in dry,Room Temperature
溶解性: 25 mg/mL · DMSO : 25 mg/mL (67.14 mM; Need ultrasonic)
外見: Solid
色: White to Almost white
BRN: 351695 · 351695
主な用途: 食品および飲料
化粧品成分の機能: スキンコンディショニング抗酸化物質
InChI: InChI=1S/C20H20O7/c1-22-12-8-6-11(7-9-12)14-10-13(21)15-16(23-2)18(24-3)20(26-5)19(25-4)17(15)27-14/h6-10H,1-5H3
InChIKey: ULSUXBXHSYSGDT-UHFFFAOYSA-N
SMILES: C1(C2=CC=C(OC)C=C2)OC2=C(OC)C(OC)=C(OC)C(OC)=C2C(=O)C=1
LogP: 1.788 · 1.788 (est)
CAS データベース: 481 · 481-53-8(CAS DataBase Reference)
NISTの化学物質情報: Tangeretin(481-53-8)

化学的性質

化学的特性Tangeretin is a yellow crystal that is volatile, difficult to dissolve in water, and easily soluble in organic solvents such as ethanol and ether. It is the active ingredient in tangerine peel. It has a good effect in treating animal mites.

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 2 (97.5%)

安全データ

wgk: 3
rtecs: DJ3102725
ridadr: UN 2811
毒性: rat,LD50,intraperitoneal,> 1gm/kg (1000mg/kg),Advances in Teratology. Vol. 3, Pg. 181, 1968.
hs_code: 29329990
risk_code: 25-36/37/38
hazard_code: T,Xi
safety_code: 45-36-26
Hazard Classifications: Acute Tox. 4 Oral
ストレージクラス: 11 - Combustible Solids

化学と産業

薬理情報

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

応用分野 · 1 件

使用Tangeretin 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.

上流・下流製品情報

下流製品

2-(4-メトキシフェニル)-5-ヒドロキシ-6,7,8-トリメトキシ-4H-1-ベンゾピラン-4-オン

サプライヤー50 社

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]

補足説明

定義ChEBI: 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.

タンゲレチン

基本情報

概要