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Compound: 5546
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Scoulerine
ScientificNameLabel
Scoulerine
PHCD compound ID :
3602
Chemical Names :
Scoulerine
Molecular Formula :
C19H21N1O4
Molecular Weight :
327.147058
More Details :
Names & Synonyms:
3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol , 3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolin[2,1-b]isoquinoline-2,9-diol
Smiles:
COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC
InChi :
InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
InChi Key :
InChIKey=KNWVMRVOBAFFMH-HNNXBMFYSA-N
PubChem ID :
22955
Rotatable bond count :
2
Rule of five :
0
Hydrogen bond acceptor count :
5
Ionization potential :
8.483808
Hydrogen bond donor count :
2
Electric dipole moment :
1.331
XLogP :
1.004
VDW volume :
296.293247
Molecular weight :
327.147058
HOMO-LUMO gap :
8.617000
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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