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ScientificNameLabel
1-carbomethoxy-beta-carboline
PHCD compound ID : 2440
Chemical Names :
1-carbomethoxy-beta-carboline
Molecular Formula : C13H10N2O2
Molecular Weight : 226.074228
More Details :
Names & Synonyms: methyl 9H-pyrido[3,4-b]indole-1-carboxylate , 9H-pyrido[3,4-b]indole-1-carboxylic acid methyl ester , 9H-$b-carboline-1-carboxylic acid methyl ester
Smiles: COC(=O)c1nccc2c1[nH]c1c2cccc1
InChi : InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3
InChi Key : InChIKey=FRNCTTUBAHKEBZ-UHFFFAOYSA-N
PubChem ID : 597266
Rotatable bond count : 2 Rule of five : 0
Hydrogen bond acceptor count : 4 Ionization potential : 8.774678
Hydrogen bond donor count : 1 Electric dipole moment : 1.976
XLogP : 1.242 VDW volume : 184.753646
Molecular weight : 226.074228 HOMO-LUMO gap : 7.659000
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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