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1,2,3,9-Tetrahydropyrrolo(2,1-B)Quinazolin-3-Ol

PubChem CID: 72610

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Compound Synonyms 6159-56-4, Vasicine, Peganine, 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol, (+/-)-Vasicine, DL-Peganine, DL-Vasicine, Vasicine, dl-, Vasicine, (+/-)-, UNII-0VFV53RMC2, 0VFV53RMC2, 1,2,3,9-Tetrahydropyrrolo(2,1-b)quinazolin-3-ol, L-PEGANIN, L-VASICIN, 1H,2H,3H,9H-PYRROLO[2,1-B]QUINAZOLIN-3-OL, CHEMBL1186527, NSC685523, VASICINE (+/-)-FORM [MI], (+/-)-Peganine, Pyrrolo(2,1-b)quinazolin-3-ol, 1,2,3,9-tetrahydro-, Peganine (hydrochloride), Peganine, (+/-), ()-asicine, ()-Peganine, Vasicine (Peganine), (A+/-)-Vasicine, (+/-)?-Peganine, (+/-)?-?Vasicine, SCHEMBL1923629, VASICINE (+/-)-FORM, PEGANINE, (+/-)-, HY-N7031R, CHEBI:181180, DTXSID701317988, ALBB-020898, GAA15956, HY-N7031, BDBM50594705, STK030150, AKOS004119833, AKOS017259379, CCG-208521, NSC-685523, ( inverted exclamation markA)?-?Vasicine, LS-06379, NCI60_030781, DB-081892, CS-0101600, NS00044012, E88612, AH-214/20712011, ( inverted exclamation markA)?-?Vasicine (Standard), Q15427948
Topological Polar Surface Area 35.8
Hydrogen Bond Donor Count 1.0
Heavy Atom Count 14.0
Isotope Atom Count 0.0
Molecular Complexity 264.0
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol
Prediction Hob 1.0
Xlogp 0.4
Molecular Formula C11H12N2O
Prediction Swissadme 0.0
Inchi Key YIICVSCAKJMMDJ-UHFFFAOYSA-N
Fcsp3 0.3636363636363636
Logs -1.273
Rotatable Bond Count 0.0
Logd 0.871
Compound Name 1,2,3,9-Tetrahydropyrrolo(2,1-B)Quinazolin-3-Ol
Prediction Hob Swissadme 0.0
Exact Mass 188.095
Formal Charge 0.0
Monoisotopic Mass 188.095
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 188.23
Covalent Unit Count 1.0
Total Atom Stereocenter Count 1.0
Total Bond Stereocenter Count 0.0
Esol -1.601368857142857
Inchi InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2
Smiles C1CN2CC3=CC=CC=C3N=C2C1O
Nring 3.0
Defined Bond Stereocenter Count 0.0

  • 1. Outgoing r'ship FOUND_IN to/from Adhatoda Vasica (Plant) Rel Props:Source_db:npass_chem_all
  • 2. Outgoing r'ship FOUND_IN to/from Adhatoda Zeylanica (Plant) Rel Props:Reference:
  • 3. Outgoing r'ship FOUND_IN to/from Aloe Vulgaris (Plant) Rel Props:Reference:
  • 4. Outgoing r'ship FOUND_IN to/from Amelanchier Vulgaris (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Aquilegia Vulgaris (Plant) Rel Props:Reference:
  • 6. Outgoing r'ship FOUND_IN to/from Artemisia Vulgaris (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Bambusa Vulgaris (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Barbarea Vulgaris (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Berberis Vulgaris (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Beta Vulgaris (Plant) Rel Props:Reference:
  • 11. Outgoing r'ship FOUND_IN to/from Citrullus Lanatus (Plant) Rel Props:Reference:
  • 12. Outgoing r'ship FOUND_IN to/from Citrullus Vulgaris (Plant) Rel Props:Reference:
  • 13. Outgoing r'ship FOUND_IN to/from Euphrasia Vulgaris (Plant) Rel Props:Reference:
  • 14. Outgoing r'ship FOUND_IN to/from Falcaria Vulgaris (Plant) Rel Props:Reference:
  • 15. Outgoing r'ship FOUND_IN to/from Gendarussa Vulgaris (Plant) Rel Props:Reference:
  • 16. Outgoing r'ship FOUND_IN to/from Hippuris Vulgaris (Plant) Rel Props:Reference:
  • 17. Outgoing r'ship FOUND_IN to/from Jacobaea Vulgaris (Plant) Rel Props:Reference:
  • 18. Outgoing r'ship FOUND_IN to/from Justicia Adhatoda (Plant) Rel Props:Reference:
  • 19. Outgoing r'ship FOUND_IN to/from Lagenaria Vulgaris (Plant) Rel Props:Reference:
  • 20. Outgoing r'ship FOUND_IN to/from Linaria Genistifolia (Plant) Rel Props:Reference:
  • 21. Outgoing r'ship FOUND_IN to/from Linaria Vulgaris (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 22. Outgoing r'ship FOUND_IN to/from Odontites Vulgaris (Plant) Rel Props:Reference:
  • 23. Outgoing r'ship FOUND_IN to/from Opuntia Vulgaris (Plant) Rel Props:Reference:
  • 24. Outgoing r'ship FOUND_IN to/from Peganum Harmala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 25. Outgoing r'ship FOUND_IN to/from Peganum Hermala (Plant) Rel Props:Reference:
  • 26. Outgoing r'ship FOUND_IN to/from Peganum Multisectum (Plant) Rel Props:Reference:
  • 27. Outgoing r'ship FOUND_IN to/from Peganum Nigellastrum (Plant) Rel Props:Reference:
  • 28. Outgoing r'ship FOUND_IN to/from Phaseolus Vulgaris (Plant) Rel Props:Reference:
  • 29. Outgoing r'ship FOUND_IN to/from Picea Vulgaris (Plant) Rel Props:Reference:
  • 30. Outgoing r'ship FOUND_IN to/from Pinguicula Vulgaris (Plant) Rel Props:Reference:
  • 31. Outgoing r'ship FOUND_IN to/from Polygala Vulgaris (Plant) Rel Props:Reference:
  • 32. Outgoing r'ship FOUND_IN to/from Prunella Vulgaris (Plant) Rel Props:Reference:
  • 33. Outgoing r'ship FOUND_IN to/from Quamoclit Vulgaris (Plant) Rel Props:Reference:
  • 34. Outgoing r'ship FOUND_IN to/from Rhus Vulgaris (Plant) Rel Props:Reference:
  • 35. Outgoing r'ship FOUND_IN to/from Satureja Vulgaris (Plant) Rel Props:Reference:
  • 36. Outgoing r'ship FOUND_IN to/from Senecio Vulgaris (Plant) Rel Props:Reference:
  • 37. Outgoing r'ship FOUND_IN to/from Silene Vulgaris (Plant) Rel Props:Reference:
  • 38. Outgoing r'ship FOUND_IN to/from Syringa Vulgaris (Plant) Rel Props:Reference:
  • 39. Outgoing r'ship FOUND_IN to/from Thymus Vulgaris (Plant) Rel Props:Reference:
  • 40. Outgoing r'ship FOUND_IN to/from Tilia Vulgaris (Plant) Rel Props:Reference:
  • 41. Outgoing r'ship FOUND_IN to/from Utricularia Vulgaris (Plant) Rel Props:Reference:
  • 42. Outgoing r'ship FOUND_IN to/from Zizyphus Vulgaris (Plant) Rel Props:Reference:
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