탄게레틴

Tangeretin

HCID 68077CAS 481-53-8
부분 구조 검색유사 구조 찾기

기본 정보

표준 SMILES
COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)c(OC)c3o2)cc1
InChIKey
ULSUXBXHSYSGDT-UHFFFAOYSA-N
분자식
C20H20O7
평균 분자량
372.4 g/mol
단동위원소 질량
372.12090298

개요

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.

이름 및 식별자

우선 이름
Tangeretin
IUPAC
5,6,7,8-tetramethoxy-2-(4-methoxyphenyl)chromen-4-one
현지명
탄게레틴
영어명
Tangeretin
분자식
C20H20O7
분자량
372.37

이름 및 동의어

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
이름 더 보기
탄게레틴Cnidium MonnieriNSC 53909angeretinNSC 618905TANGARETIN
DTXSID30197417NSC539094',5,6,7,8-pentamethoxy-flavoneNSC-53909NSC-618905CHEBI:9400NSC618905RefChem:51834

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP
3
극성 표면적
72.5 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
7
회전 가능 결합 수
6
무거운 원자 수
27

실험 및 물리화학적 성질

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

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]+

물리화학적 성질

녹는점
153 to · 153.0 to 157.0 °C
끓는 점
565.3 · 565.3±50.0 °C(Predicted)
밀도
1.244 · 1.244±0.06 g/cm3(Predicted)
저장 조건
Sealed in dry,Room Temperature
용해도
25 mg/mL · DMSO : 25 mg/mL (67.14 mM; Need ultrasonic)
물리적 상태
Solid

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

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 2 (97.5%)

안전 데이터

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

화학 및 산업

약리 정보

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
응용 분야 · 1건

용도Tangeretin 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.

상·하류 제품 정보

하류 제품

공급사50 곳

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]

추가 설명

정의ChEBI: 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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