기본 정보
- CAS
548-77-6- 표준 SMILES
COc1c(O)cc2occ(-c3ccc(O)cc3)c(=O)c2c1O- InChIKey
OBBCRPUNCUPUOS-UHFFFAOYSA-N- 분자식
- C16H12O6
- 평균 분자량
- 300.26 g/mol
- 단동위원소 질량
- 300.0633881
개요
Tectorigenin is a methoxyisoflavone that is isoflavone substituted by a methoxy group at position 6 and hydroxy groups at positions 5, 7 and 4' respectively. It has a role as an anti-inflammatory agent and a plant metabolite. It is a methoxyisoflavone and a member of 7-hydroxyisoflavones. It is functionally related to an isoflavone.
이름 및 식별자
- 우선 이름
- Tectorigenin
- IUPAC
- 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one
- 현지명
- 텍토리게닌
- 영어명
- Tectorigenin
- 분자식
- C16H12O6
- 분자량
- 300.26
이름 및 동의어
Tectorigenin548-77-64',5,7-Trihydroxy-6-methoxyisoflavoneK 251T5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-1-benzopyran-4-one5,7,4'-Trihydroxy-6-methoxyisoflavone5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromen-4-one4',5',7-trihydroxy-6-methoxyisoflavoneDTXSID50203286855130H9COCHEBI:9429RefChem:187696
이름 더 보기
텍토리게닌TectrigeninTectorigenin, 10 mM in DMSO5,7-Dihydroxy-3-(4-hydroxyphenyl)-6-methoxychromone5,7-Dihydroxy-3-(4-hydroxy-phenyl)-6-methoxy-chromen-4-one6-Methoxy-5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-1-benzopyran-4-one
DTXCID501257775,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-4H-chromen-4-oneTectorigenineMFCD005970944H-1-Benzopyran-4-one, 5,7-dihydroxy-3-(4-hydroxyphenyl)-6-methoxy-KBioSS_001241CHEMBL242740GTPL9738
데이터베이스 식별자
- CAS
548-77-6
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 96.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 454
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
물리화학적 성질
- 녹는점
- 225 · 225-226°
- 끓는 점
- 361.5 °C · 361.5°C (rough estimate)
- 밀도
- 1.512 · 1.512
- 굴절률
- 1.46 · 1.4600 (estimate)
- 저장 조건
- 2 · Sealed in dry,2-8°C
- 용해도
- 150 mg/mL · DMSO : 150 mg/mL (499.57 mM; Need ultrasonic and warming)
- 물리적 상태
- powder to crystal
- 산도 계수 (pKa)
- 6.49 · 6.49±0.20(Predicted)
- 색상
- White to Orange to Green
- BRN
- 305601 · 305601
- InChI
- InChI=1S/C16H12O6/c1-21-16-11(18)6-12-13(15(16)20)14(19)10(7-22-12)8-2-4-9(17)5-3-8/h2-7,17-18,20H,1H3
- InChIKey
- OBBCRPUNCUPUOS-UHFFFAOYSA-N
- SMILES
- C1OC2=CC(O)=C(OC)C(O)=C2C(=O)C=1C1=CC=C(O)C=C1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- NR2400000
- HS 번호
- 2932.99.6100
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
약리 정보
Cellular LocationsMembrane
응용 분야
개요Tectorigenin is an isoflavone that exists in numerous plant resources, and it is especially abundant in Belamcandae Rhizoma and Puerariae flos, which both have the effects of clearing away heat, removing toxic substances, relieving sore throat, and reducing swelling. As one of the most important active ingredients, the pharmacological effects of tectorigenin have been demonstrated by an increasing number of investigators. Due to its extensive pharmacological activities, including anticancer, antioxidation, hepatoprotection, anti-inflammation, etc., tectorigenin has received a large amount of attention[1].
용도Tectorigenin is identified as an α-glucosidase inhibitors. Potent lactate dehydrogenase (LDH) inhibitor.
상·하류 제품 정보
하류 제품
공급사100 곳
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