Basic information
- Name:
Dibenzo[a,g]quinolizinium,5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-
- Superlist Name:
- Jatrorrhizine
- CAS No.:
3621-38-3
- Molecular Structure:
![Molecular Structure of 3621-38-3 (Dibenzo[a,g]quinolizinium,5,6-dihydro-3-hydroxy-2,9,10-trimethoxy-)](http://www.lookchem.com/300w/2010/0621/3621-38-3.jpg)
- Formula:
- C20H20NO4
- Molecular Weight:
- 338.38
- Synonyms:
- Berbinium,7,8,13,13a-tetradehydro-3-hydroxy-2,9,10-trimethoxy- (8CI);7,8,13,13a-Tetradehydro-3-hydroxy-2,9,10-trimethoxyberbinium;Neprotin;Neprotine;Yatrorizine;
- EINECS:
- 222-817-3
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Specification
The CAS register number of Dibenzo[a,g]quinolizinium,5,6-dihydro-3-hydroxy-2,9,10-trimethoxy- is 3621-38-3. It also can be called as Jatrorrhizine and the IUPAC name about this chemical is 2,9,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-3-ol. The molecular formula about this chemical is C20H20NO4and the molecular weight is 338.38. It belongs to the Alkaloids. This chemical is a protoberberine alkaloid isolated from Enantia chlorantha (Annonaceae) and other species, it has antiinflammatory effect and has antimicrobial and antifungal activity.
Physical properties about Dibenzo[a,g]quinolizinium,5,6-dihydro-3-hydroxy-2,9,10-trimethoxy- are: (1)ACD/LogP: -1.89; (2)ACD/LogD (pH 5.5): -1.87; (3)ACD/LogD (pH 7.4): -1.48; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.33; (7)ACD/KOC (pH 7.4): 5.69; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 40.8Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O(c4cc3c2cc1ccc(OC)c(OC)c1c[n+]2CCc3cc4O)C
(2)InChI: InChI=1/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
(3)InChIKey: MXTLAHSTUOXGQF-IKLDFBCSAC
(4)Std. InChI: InChI=1S/C20H19NO4/c1-23-18-5-4-12-8-16-14-10-19(24-2)17(22)9-13(14)6-7-21(16)11-15(12)20(18)25-3/h4-5,8-11H,6-7H2,1-3H3/p+1
(5)Std. InChIKey: MXTLAHSTUOXGQF-UHFFFAOYSA-O