This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration. This website is for informational and educational purposes only. Please do not self-medicate; contact a medical professional for advice before administration.

(1S,4R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid

PubChem CID: 162904695

Connections displayed (default: 10).
Loading graph...

ℹ️ Click here to know more about the properties
Topological Polar Surface Area 65.099
Hydrogen Bond Donor Count 3.0
Heavy Atom Count 17.0
Isotope Atom Count 0.0
Molecular Complexity 321.0
Database Name cmaup_ingredients;pubchem
Defined Atom Stereocenter Count 2.0
Iupac Name (1S,4R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid
Prediction Hob 1.0
Xlogp -1.2
Molecular Formula C13H14N2O2
Prediction Swissadme 0.0
Inchi Key XPQOARAAVQVKOK-CBAPKCEASA-N
Fcsp3 0.3076923076923077
Logs -2.031
Rotatable Bond Count 1.0
Logd 1.017
Compound Name (1S,4R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid
Prediction Hob Swissadme 0.0
Exact Mass 230.106
Formal Charge 0.0
Monoisotopic Mass 230.106
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 230.26
Covalent Unit Count 1.0
Total Atom Stereocenter Count 2.0
Total Bond Stereocenter Count 0.0
Esol -0.8689201058823527
Inchi InChI=1S/C13H14N2O2/c1-7-12-11(9(6-14-7)13(16)17)8-4-2-3-5-10(8)15-12/h2-5,7,9,14-15H,6H2,1H3,(H,16,17)/t7-,9-/m0/s1
Smiles C[C@H]1C2=C([C@H](CN1)C(=O)O)C3=CC=CC=C3N2
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Alkanna Cappadocica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 2. Outgoing r'ship FOUND_IN to/from Artemisia Dentata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 3. Outgoing r'ship FOUND_IN to/from Atalantia Racemosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 4. Outgoing r'ship FOUND_IN to/from Buddleja Cordata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 5. Outgoing r'ship FOUND_IN to/from Crambe Tatarica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 6. Outgoing r'ship FOUND_IN to/from Diospyros Eriantha (Plant) Rel Props:Source_db:cmaup_ingredients
  • 7. Outgoing r'ship FOUND_IN to/from Fritillaria Ningguoensis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 8. Outgoing r'ship FOUND_IN to/from Hoffmannia Strigillosa (Plant) Rel Props:Source_db:cmaup_ingredients
  • 9. Outgoing r'ship FOUND_IN to/from Humulus Lupulus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 10. Outgoing r'ship FOUND_IN to/from Juniperus Rigida (Plant) Rel Props:Source_db:cmaup_ingredients
  • 11. Outgoing r'ship FOUND_IN to/from Lemaireocereus Griseus (Plant) Rel Props:Source_db:cmaup_ingredients
  • 12. Outgoing r'ship FOUND_IN to/from Millettia Erythrocalyx (Plant) Rel Props:Source_db:cmaup_ingredients
  • 13. Outgoing r'ship FOUND_IN to/from Ononis Vaginalis (Plant) Rel Props:Source_db:cmaup_ingredients
  • 14. Outgoing r'ship FOUND_IN to/from Pteris Semipinnata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 15. Outgoing r'ship FOUND_IN to/from Rapanea Lancifolia (Plant) Rel Props:Source_db:cmaup_ingredients
  • 16. Outgoing r'ship FOUND_IN to/from Salvia Hispanica (Plant) Rel Props:Source_db:cmaup_ingredients
  • 17. Outgoing r'ship FOUND_IN to/from Scorzonera Pseudodivaricata (Plant) Rel Props:Source_db:cmaup_ingredients
  • 18. Outgoing r'ship FOUND_IN to/from Syncarpia Hillii (Plant) Rel Props:Source_db:cmaup_ingredients
Back to Browse   Back to Home