Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
탄게레틴
탄게레틴 · TANGERITIN · ponkanetin · Cnidium Monnieri · 5,6,7,8,4'-PENTAMETHOXYFLAVONE · 5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one · NSC 53909 · angeretin
식별자 및 물리적 특성
| CAS No. | 481-53-8 |
|---|---|
| 분자식 | C20H20O7 |
| 평균 분자량 | 372.4 g/mol |
| 단동위원소 질량 | 372.12090298 g/mol |
| SMILES | COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1 |
| InChIKey | ULSUXBXHSYSGDT-UHFFFAOYSA-N |
| PubChem CID | 68077 |
| ChEMBL | CHEMBL73930 |
| ChEBI | CHEBI:9400 |
| EC No. | 207-570-1 |
| DTXSID | DTXSID30197417 |
| 현지명 | 탄게레틴 |
화학 및 물리적 성질
| XLogP | 3 |
|---|---|
| 극성 표면적 | 72.5 |
| 수소 결합 공여자 수 | 0 |
| 수소 결합 수용자 수 | 7 |
| 회전 가능 결합 수 | 6 |
| 무거운 원자 수 | 27 |
| 형식 전하 | 0 |
| 복잡도 | 540 |
| 물질 분류 | Antioxidant |
| 지질 | Polyketides [PK] -> Flavonoids [PK12] -> Flavones and Flavonols [PK1211] |
| 녹는점 | 154 °C153.0 to 157.0 °C |
| Physical Description | Solid |
| Collision Cross Section | 208.15 Ų [M+Na]+ [CCS Type: DTMethod: stepped-field]182 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]181.35 Ų [M+H]+ [CCS Type: TW186.7 Ų [M+H]+ |
| 끓는 점 | 565.3±50.0 °C(Predicted) |
| 밀도 | 1.244±0.06 g/cm3(Predicted) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | DMSO : 25 mg/mL (67.14 mMNeed ultrasonic) |
| 물리적 상태 | Solid |
| 색상 | 흰색에서 거의 흰색 |
| BRN | 351695 |
| 주요 응용 | 음식 및 음료 |
| 화장품 원료 기능 | 피부 컨디셔닝항산화제 |
| 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(분배 계수) | 1.788 (est) |
| NIST | Tangeretin(481-53-8) |
화학적 성질
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.
안전 및 규제
| GHS 분류 | DangerH300 (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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 2 (97.5%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | DJ3102725 |
| 운송 번호(UN) | UN 2811 |
| 독성 | rat,LD50,intraperitoneal,> 1gm/kg (1000mg/kg),Advances in Teratology. Vol. 3, Pg. 181, 1968. |
| 관세 코드 | 29329990 |
| 위험 문구(R) | 25-36/37/38 |
| 위험 표시 | T,Xi |
| 안전 문구(S) | 45-36-26 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
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.