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.

Vindolinine

PubChem CID: 24148538

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

ℹ️ Click here to know more about the properties
Compound Synonyms Vindolinine, 5980-02-9, Vindolinin, methyl (1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate, CHEBI:141964, (2alpha,3beta,5alpha,12beta,19alpha,20R)-6,7-Didehydro-2,20-cycloaspidospermidine-3-carbox ylic acid, methyl ester, methyl (3beta,5alpha,12beta,19alpha,20R)-6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylate, (-)-vindolinine, methyl (1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo(10.6.1.19,12.01,9.02,7.016,19)icosa-2,4,6,13-tetraene-10-carboxylate, MEGxp0_001942, CHEMBL1165590, HY-N5122, AKOS040760748, CS-0032446, NS00094424, Methyl 6,7-didehydro-2,20-cycloaspidospermidine-3-carboxylic acid, (2 alpha,3 beta,5 alpha,12 beta,19 alpha,20R)-6,7-didehydro-2,20-cycloaspidospermidine-3-carbox ylic acid, methyl ester
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 41.6
Hydrogen Bond Donor Count 1.0
Pfizer 3 75 Rule False
Scaffold Graph Level C1CCC2C(C1)CC13CCC4(CCCC5CCC21C54)C3
Np Classifier Class Aspidosperma type
Deep Smiles COC=O)[C@@H]C[C@@][C@H][C@@]5Ncc[C@]5[C@H]8NCC5))CC=C%12))))))cccc6))))))))C
Heavy Atom Count 25.0
Classyfire Class Indoles and derivatives
Scaffold Graph Node Level C1CCC2C(C1)NC13CCC4(CCCN5CCC21C54)C3
Classyfire Subclass Carbazoles
Isotope Atom Count 0.0
Molecular Complexity 677.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 6.0
Iupac Name methyl (1R,9R,10R,12R,19S,20R)-20-methyl-8,16-diazahexacyclo[10.6.1.19,12.01,9.02,7.016,19]icosa-2,4,6,13-tetraene-10-carboxylate
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 2.9
Gsk 4 400 Rule True
Molecular Formula C21H24N2O2
Scaffold Graph Node Bond Level C1=CC23CCC4(C2)Nc2ccccc2C42CCN(C1)C32
Prediction Swissadme 1.0
Inchi Key JSLDLCGKZDUQSH-SBDPWIONSA-N
Silicos It Class Moderately soluble
Fcsp3 0.5714285714285714
Logs -4.074
Rotatable Bond Count 2.0
Logd 1.495
Synonyms vindolinine
Esol Class Soluble
Functional Groups CC=CC, CN(C)C, COC(C)=O, cNC
Compound Name Vindolinine
Prediction Hob Swissadme 1.0
Exact Mass 336.184
Formal Charge 0.0
Monoisotopic Mass 336.184
Hydrogen Bond Acceptor Count 4.0
Molecular Weight 336.4
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 6.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.804797
Inchi InChI=1S/C21H24N2O2/c1-13-19-8-5-10-23-11-9-20(18(19)23)14-6-3-4-7-16(14)22-21(13,20)15(12-19)17(24)25-2/h3-8,13,15,18,22H,9-12H2,1-2H3/t13-,15+,18+,19+,20-,21-/m1/s1
Smiles C[C@@H]1[C@]23C[C@H]([C@@]14[C@@]5([C@H]2N(CC5)CC=C3)C6=CC=CC=C6N4)C(=O)OC
Nring 6.0
Np Classifier Biosynthetic Pathway Alkaloids
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Tryptophan alkaloids

  • 1. Outgoing r'ship FOUND_IN to/from Acritopappus Longifolius (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Boerhavia Erecta (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Cataranthus Roseus (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Catharanthus Lanceus (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Catharanthus Longifolius (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Catharanthus Ovalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 7. Outgoing r'ship FOUND_IN to/from Catharanthus Pusillus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Catharanthus Roseus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 9. Outgoing r'ship FOUND_IN to/from Coelogyne Ovalis (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Commelina Erecta (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Duranta Erecta (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Eclipta Erecta (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Halophila Ovalis (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Hygrophila Erecta (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Hyoscyamus Pusillus (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Melodinus Balansae (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Melodinus Celastroides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 18. Outgoing r'ship FOUND_IN to/from Melodinus Cochinchinensis (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Melodinus Hemsleyanus (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Melodinus Tenuicaudatus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 21. Outgoing r'ship FOUND_IN to/from Nepeta Erecta (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Ochrocarpos Longifolius (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Ochrocarpus Longifolius (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Senecio Longifolius (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Senecio Roseus (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Stephania Erecta (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Tagetes Erecta (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Thunbergia Erecta (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Vinca Erecta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 30. Outgoing r'ship FOUND_IN to/from Vinca Herbacea (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Vinca Major (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Vinca Minor (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Vinca Parviflora (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Vinca Pusilla (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Vinca Rosea (Plant) Rel Props:Reference:
Back to Browse   Back to Home