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ScientificNameLabel
1-carbobutoxy-beta-carboline
PHCD compound ID : 2439
Chemical Names :
1-carbobutoxy-beta-carboline
Molecular Formula : C16H16N2O2
Molecular Weight : 268.121178
More Details :
Names & Synonyms:
Smiles: CCCCOC(=O)c1nccc2c1[nH]c1c2cccc1
InChi : InChI=1S/C16H16N2O2/c1-2-3-10-20-16(19)15-14-12(8-9-17-15)11-6-4-5-7-13(11)18-14/h4-9,18H,2-3,10H2,1H3
InChi Key : InChIKey=FWZPWTIGRHKGKJ-UHFFFAOYSA-N
PubChem ID :
Rotatable bond count : 5 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.737969
Hydrogen bond donor count : 1 Electric dipole moment : 1.818
XLogP : 2.592 VDW volume : 236.6416
Molecular weight : 268.121178 HOMO-LUMO gap : 7.666000
Herb list :
Refrences & Litretures:
  
277.      Journal:'Drug Discoveries & Therapeutics'      Year:'2015'      Volume:'9'      Page:'23'      DOI:'10.5582/ddt.2015.01004'      Title:'Chemical constituents and bioactivities of Panax ginseng (C. A. Mey.)'
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