기본 정보
- CAS
852459-91-7- 표준 SMILES
COc1ccc([C@H]2O[C@@H](c3ccc4c(c3)OCO4)[C@H](C)[C@@H]2C)cc1OC- InChIKey
HSMDOSKNXLVXIP-WVGOSAFVSA-N- 분자식
- C21H24O5
- 평균 분자량
- 356.4 g/mol
개요
Futokadsurin C is a lignan that is tetrahydrofuran substituted by methyl groups at positions 3 and 4, a 3,4-dimethoxyphenyl group at position 5 and a 1,3-benzodioxol-5-yl moiety at position 2 (the 2R,3R,4S,5S stereoisomer). Isolated from the aerial parts of Piper futokadsura, it exhibits inhibitory activity against production of nitric oxide (NO). It has a role as a metabolite and an EC 1.14.13.39 (nitric oxide synthase) inhibitor. It is a lignan, a member of oxolanes, a member of benzodioxoles and a dimethoxybenzene.
이름 및 식별자
- 우선 이름
- Futokadsurin C
- IUPAC
- 5-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxole
- 영어명
- Futokadsurin C
- 분자식
- C21H24O5
- 분자량
- 356.41
이름 및 동의어
futokadsurin C5-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl]-1,3-benzodioxoleCHEBI:65938(7R,8R,7'S,8'S)-3',4'-dimethoxy-3,4-methylenedioxy-7,7'-epoxylignan5-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl]-1,3-benzodioxole5-((2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyloxolan-2-yl)-1,3-benzodioxole5-((2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)-3,4-dimethyltetrahydrofuran-2-yl)-1,3-benzodioxoleRefChem:142005852459-91-7orb1682542TN4089AKOS040761756
이름 더 보기
1,3-Benzodioxole, 5-[(2R,3R,4S,5S)-5-(3,4-dimethoxyphenyl)tetrahydro-3,4-dimethyl-2-furanyl]-
CS-0113463Q27134438
데이터베이스 식별자
- CAS
852459-91-7- ChEMBL
CHEMBL603427
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 46.2 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 471
물리화학적 성질
- 끓는 점
- 467.5 · 467.5±45.0 °C(Predicted)
- 밀도
- 1.159 · 1.159±0.06 g/cm3(Predicted)
화학 및 산업
공급사14 곳
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]
江苏艾康生物医药研发有限公司025-5885952 15955137747 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
爱必信（上海）生物科技有限公司13761418683 · [email protected]
上海博湖生物科技有限公司021-57763112 13585886131 · [email protected]
上海莫奇生物科技有限公司13341702378 · [email protected]
四川百奥克睿生物科技有限公司28-86-28-8543-3893 13260669172 · [email protected]
上海研纯生物医药科技有限公司4001-009266 17349750668 · [email protected]
北京谱析科技有限公司400-808-7372 13161114455 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…