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Compound: 5546
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Dihydrosanguinarine
ScientificNameLabel
Dihydrosanguinarine
PHCD compound ID :
3596
Chemical Names :
Dihydrosanguinarine
Molecular Formula :
C20H15N1O4
Molecular Weight :
333.100108
More Details :
Names & Synonyms:
Smiles:
CN1Cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2
InChi :
InChI=1S/C20H15NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-7H,8-10H2,1H3
InChi Key :
InChIKey=CIUHLXZTZWTVFL-UHFFFAOYSA-N
PubChem ID :
124069
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
5
Ionization potential :
8.336876
Hydrogen bond donor count :
0
Electric dipole moment :
1.310
XLogP :
3.006
VDW volume :
272.703396
Molecular weight :
333.100108
HOMO-LUMO gap :
7.575000
Herb list :
Great scarlet poppy - Papaver bracteatum - خشخاش طناز، خشخاش کبیر، خشخاش سیاه
Refrences & Litretures:
501. Journal:'Journal of Medicinal Plants' Year:'2015' Volume:'14' Page:'6' DOI:'' Title:'A Systematic Review on Main Chemical Constituents of Papaver bracteatum'
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