기본 정보
- CAS
20633-93-6- 표준 SMILES
COc1ccc(-c2cc(=O)c3c(O)cc(OC4OC(COC5OC(C)C(O)C(O)C5O)C(O)C(O)C4O)cc3o2)cc1- InChIKey
YFVGIJBUXMQFOF-UHFFFAOYSA-N- 분자식
- C28H32O14
- 평균 분자량
- 592.5 g/mol
- 단동위원소 질량
- 592.17920569
개요
5-Hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one has been reported in Chrysanthemum morifolium, Linaria vulgaris, and other organisms with data available.
이름 및 식별자
- 우선 이름
- 5-Hydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-one
- IUPAC
- 5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one
- 현지명
- 포르투넬린
- 영어명
- FORTUNELLIN
- 분자식
- C28H32O14
- 분자량
- 592.55
이름 및 동의어
GNF-Pf-21605-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one5-Hydroxy-2-(4-methoxyphenyl)-7-(3,4,5-trihydroxy-6-((3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl)oxan-2-yl)oxychromen-4-oneRefChem:1072981Buddleoside;Linarine5-hydroxy-2-(4-methoxyphenyl)-7-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl)oxymethyl]tetrahydropyran-2-yl]oxy-chromen-4-oneBuddleoflavonoloside (Linarin; Acaciin; Linaric acid)Acaciin [M+H]+Acacetin-7-O-b-D-rutinosideCHEMBL601333orb1222207orb1300246
이름 더 보기
포르투넬린ACACETIN-7-O-NEOHESPERIDOSIDEFORTUNELLINACACETIN-7-NEOHESPERIDOSIDE4H-1-Benzopyran-4-one, 7-[[2-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-5-hydroxy-2-(4-methoxyphenyl)-
orb3140377SCHEMBL7169195s9290AKOS000507432AKOS021983167T6S0653LS-15240DB-050312
데이터베이스 식별자
- CAS
20633-93-6、478483-37-3- PubChem CID
- 5480901
- ChEMBL
CHEMBL601333
물성
구조 계산 물성
- XLogP
- -0.5
- 극성 표면적
- 214 Ų
- 수소 결합 공여자 수
- 7
- 수소 결합 수용자 수
- 14
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 42
- 형식 전하
- 0
- 복잡도
- 955
물리화학적 성질
- 녹는점
- 193 · 193-198°C
- 끓는 점
- 888.7 · 888.7±65.0 °C(Predicted)
- 밀도
- 1.62 · 1.62±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 6.1 · 6.10±0.40(Predicted)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
화학적 성질
Off-white to light yellow Solid
화학 및 산업
응용 분야
개요Fortunellin is a potential anti-inflammation agent in inflammatory diseases, it targets miR-374a, which is a negative regulator of phosphatase and tensin homolog (PTEN). Fortunellin protects against high fructose-induced diabetic heart injury in mice by suppressing inflammation and oxidative stress via AMPK/Nrf-2 pathway regulation.
용도Fortunellin is a flavonoid that can be isolated from kumquat (Fortunella margarita) fruit. Studies have shown that Fortunellin inhibits LPS-induced inflammation and ROS production in H9C2 cells, and also prevents fructose-induced inflammation and oxidative stress by enhancing the AMPK/Nrf2 pathway. In addition, Fortunellin has a dual role in the prevention and treatment of coronaviral disease, with antiviral activity against SARS-CoV-2 and anti-inflammatory immunomodulatory capacity in the host.
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