基本情報
- CAS
84-39-9- 標準SMILES
c1cc2c(c3c1C[C@H]1c4cc5c(cc4CCN1C3)OCO5)OCO2- InChIKey
UXYJCYXWJGAKQY-HNNXBMFYSA-N- 分子式
- C19H17NO4
- 平均分子量
- 323.3 g/mol
- 単同位体質量
- 323.11575802
概要
(S)-stylopine is a berberine alkaloid isolated from the plants of the family papaveraceae. It has a role as a plant metabolite. It is an an (S)-7,8,13,14-tetrahydroprotoberberine, a berberine alkaloid and an organic heterohexacyclic compound.
名称と識別子
- 優先名称
- Stylopine
- IUPAC
- (1S)-5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-2,4(8),9,15(23),16(20),21-hexaene
名称と別名
(S)-Stylopine(-)-Tetrahydrocoptisinel-TetrahydrocoptisineCHEBI:18285(12bS)-6,7,12b,13-tetrahydro-2H,4H,10H-[1,3]dioxolo[4,5-g][1,3]dioxolo[4',5':7,8]isoquino[3,2-a]isoquinolineNSC-1103826,7,12b,13e-Tetrahydro-4H-bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine6,7,12b,13e-Tetrahydro-4H-bis[1,3]benzodioxolo[5,6-a:4',5'-g]quinolizine(12bS)-6,7,12b,13-tetrahydro-2H,4H,10H-(1,3)dioxolo(4,5-g)(1,3)dioxolo(4',5':7,8)isoquino(3,2-a)isoquinolinestylopine, (S)-isomerRefChem:514092,3:9,10-BIS(METHYLENEDIOXY)-(-)-TETRAHYDROBERBERINE
名称をさらに表示
4H-BIS(1,3)BENZODIOXOLO(5,6-A:4',5'-G)QUINOLIZINE, 6,7,12B,13-TETRAHYDRO-, (12BS)-13Aalpha-BERBINE, 2,3:9,10-BIS(METHYLENEDIOXY)-(12bS)-6,7,12b,13-Tetrahydro-4H-bis(1,3)benzodioxolo(5,6-a:4',5'-g)quinolizine6, 7, 12b, 13e-tetrahydro-4H-bis (1, 3)benzodioxolo(5, 6-a:4', 5'-g) quinolizine7461-02-1J0JS75Q12ZStylopine84-39-9
データベース識別子
- CAS
84-39-9- PubChem CID
- 440583
物性
構造計算による物性
- XLogP
- 3
- 極性表面積
- 40.2 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 5
- 回転可能結合数
- 0
- 重原子数
- 24
- 形式電荷
- 0
- 複雑度
- 502
関連反応
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