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2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one

PubChem CID: 87371

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Compound Synonyms 17952-82-8, 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one, L-Oxonoreleagnine, 1H-Pyrido[3,4-b]indol-1-one, 2,3,4,9-tetrahydro-, 1,2,3,4-Tetrahydronorharman-1-one, 2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one, 2,3,4,9-Tetrahydro-1H-beta-carbolin-1-one, MFCD00065240, 2,3,4,9-Tetrahydro-beta-carbolin-1-one, MLS000766137, 2,3,4,9-Tetrahydro-1H-pyrido(3,4-b)indol-1-one, SMR000122646, EINECS 241-878-7, NSC147829, 1H-Pyrido[3,4-b]indol-1-one,2,3,4,9-tetrahydro-, Oprea1_215891, Oprea1_286796, MLS000523573, MLS001049054, SCHEMBL797563, CHEMBL444810, DTXSID50170823, 1,3,4-Tetrahydronorharman-1-one, HMS2357J05, SAA95282, AC4806, STK698945, STL565918, 4,9-dihydro-3H-beta-carbolin-1-ol, AKOS005521452, AKOS037623635, HY-W268334, NSC 147829, NSC-147829, 1H-Pyrido[3, 2,3,4,9-tetrahydro-, NCGC00245519-01, NCGC00245519-02, AS-67700, SY246488, 1-oxo-1,2,3,4-tetrahydro-beta-carboline, 1,2,3,4-Tetrahydro-1-oxo-beta-carboline, 1,3,4-Tetrahydro-1-oxo-.beta.-carboline, DB-148669, CS-0313669, NS00025910, 1,2,3,4-Tetrahydro-1-oxo-.beta.-carboline, 2,3,4,9-Tetrahydro-1H-beta-carbolin-1-one #, AO-567/14623012, 1,2,3,4-tetrahydro-9H-pyrido[3,4-b]indol-1-one, 2H,3H,4H,9H-PYRIDO[3,4-B]INDOL-1-ONE, 1H,2H,3H,4H,9H-PYRIDO[3,4-B]INDOL-1-ONE, InChI=1/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14
Topological Polar Surface Area 44.9
Hydrogen Bond Donor Count 2.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 254.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id B2RXH2, P42858, Q03164, P00811, P15428, P05177, P33261, Q9Y253, O89049, P80244, P63092, Q13526, Q9NR56
Iupac Name 2,3,4,9-tetrahydropyrido[3,4-b]indol-1-one
Prediction Hob 1.0
Target Id NPT48, NPT1197, NPT151, NPT208, NPT213
Xlogp 1.7
Molecular Formula C11H10N2O
Prediction Swissadme 0.0
Inchi Key FZHZQHNKCPJTNQ-UHFFFAOYSA-N
Fcsp3 0.1818181818181818
Logs -2.773
Rotatable Bond Count 0.0
Logd 2.168
Compound Name 2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-one
Prediction Hob Swissadme 0.0
Exact Mass 186.079
Formal Charge 0.0
Monoisotopic Mass 186.079
Hydrogen Bond Acceptor Count 1.0
Molecular Weight 186.21
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -2.635741085714286
Inchi InChI=1S/C11H10N2O/c14-11-10-8(5-6-12-11)7-3-1-2-4-9(7)13-10/h1-4,13H,5-6H2,(H,12,14)
Smiles C1CNC(=O)C2=C1C3=CC=CC=C3N2
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Eurycoma Sp (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Glycyrrhiza Sp (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Pterocaulon Sp (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Rheum Sp (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Trigonostemon Howii (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Trigonostemon Lii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Trigonostemon Reidioides (Plant) Rel Props:Reference:
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