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ScientificNameLabel
Vasicinone
PHCD compound ID : 64
Chemical Names :
Vasicinone , Vascinones
Molecular Formula : C11H10N2O2
Molecular Weight : 202.074228
More Details :
Names & Synonyms: (3S)-3-hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one , (3S)-3-oxidanyl-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one
Smiles: O[C@H]1CCn2c1nc1ccccc1c2=O
InChi : InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
InChi Key : InChIKey=SDIVYZXRQHWCKF-VIFPVBQESA-N
PubChem ID : 442935
Rotatable bond count : 0 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 9.223912
Hydrogen bond donor count : 1 Electric dipole moment : 1.001
XLogP : -0.463 VDW volume : 177.234594
Molecular weight : 202.074228 HOMO-LUMO gap : 8.394000
Herb list :
Refrences & Litretures:
  
3.      Journal:'Pharmacognosy Reviews'      Year:'2013'      Volume:'7'      Page:'199'      DOI:'10.4103/0973-7847.120524'      Title:'Pharmacological and therapeutic effects of Peganum harmala and its main alkaloids'
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