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.

Cleistopholine

PubChem CID: 457732

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

ℹ️ Click here to know more about the properties
Compound Synonyms Cleistopholine, 4-Methylbenzo(g)quinoline-5,10-dione, 4-Methylbenzo[g]quinoline-5,10-dione, 96889-94-0, DTXSID30242618, C14H9NO2, CHEMBL444067, SCHEMBL6358965, DTXCID60165109, GVRYUHXXENMGEV-UHFFFAOYSA-N
Ghose Rule True
Classyfire Kingdom Organic compounds
Topological Polar Surface Area 47.0
Hydrogen Bond Donor Count 0.0
Pfizer 3 75 Rule False
Scaffold Graph Level CC1C2CCCCC2C(C)C2CCCCC12
Np Classifier Class Anthraquinones and anthrones
Deep Smiles Ccccncc6C=O)cccccc6C%10=O
Heavy Atom Count 17.0
Classyfire Class Quinolines and derivatives
Scaffold Graph Node Level OC1C2CCCCC2C(O)C2NCCCC12
Classyfire Subclass Benzoquinolines
Isotope Atom Count 0.0
Molecular Complexity 352.0
Database Name cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Uniprot Id n.a.
Iupac Name 4-methylbenzo[g]quinoline-5,10-dione
Prediction Hob 1.0
Veber Rule True
Classyfire Superclass Organoheterocyclic compounds
Xlogp 2.5
Gsk 4 400 Rule True
Molecular Formula C14H9NO2
Scaffold Graph Node Bond Level O=C1c2ccccc2C(=O)c2ncccc21
Prediction Swissadme 0.0
Inchi Key GVRYUHXXENMGEV-UHFFFAOYSA-N
Silicos It Class Moderately soluble
Fcsp3 0.0714285714285714
Logs -4.451
Rotatable Bond Count 0.0
Logd 2.049
Synonyms cleistopholine
Esol Class Soluble
Functional Groups cC(c)=O, cnc
Compound Name Cleistopholine
Prediction Hob Swissadme 0.0
Exact Mass 223.063
Formal Charge 0.0
Monoisotopic Mass 223.063
Hydrogen Bond Acceptor Count 3.0
Molecular Weight 223.23
Gi Absorption True
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Lipinski Rule Of 5 True
Esol -3.3213851411764708
Inchi InChI=1S/C14H9NO2/c1-8-6-7-15-12-11(8)13(16)9-4-2-3-5-10(9)14(12)17/h2-7H,1H3
Smiles CC1=C2C(=NC=C1)C(=O)C3=CC=CC=C3C2=O
Nring 4.0
Np Classifier Biosynthetic Pathway Polyketides
Defined Bond Stereocenter Count 0.0
Egan Rule True
Np Classifier Superclass Polycyclic aromatic polyketides

  • 1. Outgoing r'ship FOUND_IN to/from Aerides Odorata (Plant) Rel Props:Reference:
  • 2. Outgoing r'ship FOUND_IN to/from Aglaia Odorata (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Annona Cherimola (Plant) Rel Props:Reference:ISBN:9788185042145
  • 4. Outgoing r'ship FOUND_IN to/from Asperula Odorata (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Bergia Odorata (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Blumea Odorata (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Cananga Odorata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 8. Outgoing r'ship FOUND_IN to/from Caryopteris Odorata (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Cedrela Odorata (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Chromolaena Odorata (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Dipteryx Odorata (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Gynocardia Odorata (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Hierochloe Odorata (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Hopea Odorata (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Hymenoxys Odorata (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Kyllinga Odorata (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Myrrhis Odorata (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Nymphaea Odorata (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Oenothera Odorata (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Pavonia Odorata (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Persicaria Odorata (Plant) Rel Props:Reference:
  • 22. Outgoing r'ship FOUND_IN to/from Pluchea Odorata (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Premna Odorata (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Reseda Odorata (Plant) Rel Props:Reference:
  • 25. Outgoing r'ship FOUND_IN to/from Tarenna Odorata (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Viola Odorata (Plant) Rel Props:Reference:
Back to Browse   Back to Home