기본 정보
- CAS
4449-55-2- 표준 SMILES
CC(C)=CCc1c2c(c(O)c3c(=O)c(-c4ccc(O)cc4)coc13)C=CC(C)(C)O2- InChIKey
HGHOPAZIUPORIN-UHFFFAOYSA-N- 분자식
- C25H24O5
- 평균 분자량
- 404.5 g/mol
- 단동위원소 질량
- 404.16237386
개요
Warangalone has been reported in Maclura pomifera, Euchresta horsfieldii, and other organisms with data available.
이름 및 식별자
- 우선 이름
- Warangalone
- IUPAC
- 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
- 영어명
- warangalone
- 분자식
- C25H24O5
- 분자량
- 404.46
이름 및 동의어
Warangalone4449-55-2DTXSID401961935-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano(3,2-g)chromen-6-oneRefChem:194757DTXCID50118684ScandenoloneScandenone2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-WarangalonHGHOPAZIUPORIN-UHFFFAOYSA-N
이름 더 보기
Warangalone (Scandenolone)5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)-6-pyrano[3,2-g][1]benzopyranone5-hydroxy-3-(4-hydroxyphenyl)-8,8-dimethyl-10-(3-methylbut-2-en-1-yl)pyrano[3,2-g]chromen-4(8H)-one2H,6H-Benzo[1,2-b:5,4-b']dipyran-6-one,5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-buten-1-yl)-
2H,6H-Benzo(1,2-b:5,4-b')dipyran-6-one, 5-hydroxy-7-(4-hydroxyphenyl)-2,2-dimethyl-10-(3-methyl-2-butenyl)-MFCD00220453SCHEMBL571534CHEMBL458134orb1679060HY-N1074LMPK12050205AKOS015896248
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 76 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 30
- 형식 전하
- 0
- 복잡도
- 752
실험 및 물리화학적 성질
LipidsPolyketides [PK] -> Flavonoids [PK12] -> Isoflavonoids [PK1205]
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 164 · 164-165 °C
- 끓는 점
- 627 · 627.0±55.0 °C(Predicted)
- 밀도
- 1.258 · 1.258±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 6.39 · 6.39±0.40(Predicted)
- 색상
- Light yellow to yellow
화학 및 산업
응용 분야
용도Warangalone, is an anti-malarial compound that can inhibit the growth of both strains of parasite 3D7 (chloroquine sensitive) and K1 (chloroquine resistant). It can also inhibit cyclic AMP-dependent protein kinase catalytic subunit (cAK).
공급사41 곳
陕西格列弗生物科技研究有限责任公司18409274651; 13892423764 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
上海弘顺生物科技有限公司15901914505 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
NANJING YINGWEN BIOTECHNOLOGY CO LTD+8613382787392 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
Wuhan Jingkang en Biomedical Technology Co., Ltd+86-0086-13720134139 · [email protected]
Labnetwork lnc.+86-27-50766799 +86-18062016861 · [email protected]
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