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Compound: 5546
Plants: 312
References: 992
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Palmatine
ScientificNameLabel
Palmatine
PHCD compound ID :
2962
Chemical Names :
Palmatine
Molecular Formula :
C21H22N1O4
Molecular Weight :
352.154883
More Details :
Names & Synonyms:
2,3,9,10-tetramethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium , 2,3,9,10-tetramethoxy-5,6-dihydroisoquinolin[2,1-b]isoquinolin-7-ium
Smiles:
COc1cc2CC[n+]3c(c2cc1OC)cc1c(c3)c(OC)c(cc1)OC
InChi :
InChI=1S/C21H22NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,9-12H,7-8H2,1-4H3/q+1
InChi Key :
InChIKey=QUCQEUCGKKTEBI-UHFFFAOYSA-N
PubChem ID :
19009
Rotatable bond count :
4
Rule of five :
0
Hydrogen bond acceptor count :
4
Ionization potential :
11.030908
Hydrogen bond donor count :
0
Electric dipole moment :
4.522
XLogP :
2.546
VDW volume :
316.030528
Molecular weight :
352.154883
HOMO-LUMO gap :
6.383000
Herb list :
Berberry - Berberis vulgaris - زرشک
Refrences & Litretures:
375. Journal:'BMC Complementary and Alternative Medicine' Year:'2013' Volume:'13' Page:'218' DOI:'10.1186/1472-6882-13-218' Title:'In vitro biological assessment of berberis vulgaris and its active constituent, berberine: antioxidants, anti-acetylcholinesterase, anti-diabetic and anticancer effects'
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