Calligonine

PubChem CID: 442025

Connections displayed (default: 10).

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Compound Synonyms	Calligonine, Elaeagnine, (1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole, 2254-36-6, C09089, (1~{R})-1-methyl-2,3,4,9-tetrahydro-1~{H}-pyrido[3,4-b]indole, AC1L9C4Q, ZINC19735187, (R)-(+)-Tetrahydroharman, CHEBI:3323, DTXSID20966937, (r)(+)-1-methyl-1,2,3,4-tetrahydro-beta-carboline, QGH
Topological Polar Surface Area	27.8
Hydrogen Bond Donor Count	2.0
Heavy Atom Count	14.0
Isotope Atom Count	0.0
Molecular Complexity	216.0
Database Name	cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count	1.0
Iupac Name	(1R)-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Nih Violation	False
Prediction Hob	1.0
Xlogp	1.9
Is Pains	True
Molecular Formula	C12H14N2
Prediction Swissadme	0.0
Inchi Key	LPIJOZBIVDCQTE-MRVPVSSYSA-N
Fcsp3	0.3333333333333333
Rotatable Bond Count	0.0
Compound Name	Calligonine
Prediction Hob Swissadme	0.0
Exact Mass	186.116
Formal Charge	0.0
Brenk Violation	False
Monoisotopic Mass	186.116
Hydrogen Bond Acceptor Count	1.0
Molecular Weight	186.25
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Esol	-2.661213885714286
Inchi	InChI=1S/C12H14N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,8,13-14H,6-7H2,1H3/t8-/m1/s1
Smiles	C[C@@H]1C2=C(CCN1)C3=CC=CC=C3N2
Defined Bond Stereocenter Count	0.0

1. Outgoing r'ship FOUND_IN to/from Agave Angustifolia (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Alstonia Angustifolia (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Araucaria Angustifolia (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Artemisia Mexicana (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Baccharis Angustifolia (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Backhousia Angustifolia (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Buchanania Angustifolia (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Cassia Angustifolia (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Clematis Angustifolia (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Cucurma Angustifolia (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Curcuma Angustifolia (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Cyanostegia Angustifolia (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Dodonaea Angustifolia (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dracaena Angustifolia (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Echinacea Angustifolia (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Elaeagnus Angustifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
17. Outgoing r'ship FOUND_IN to/from Elaeagnus Caudata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Elaeagnus Commutata (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Elaeagnus Conferta (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Elaeagnus Indica (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Elaeagnus Kologa (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Elaeagnus Latifolia (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Elaeagnus Orientalis (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Elaeagnus Pungens (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Elaeagnus Pyriformis (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Elaeagnus Rhamnoides (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Fraxinus Angustifolia (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Gomphia Angustifolia (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Guadua Angustifolia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Helicteres Angustifolia (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Hortonia Angustifolia (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Impatiens Angustifolia (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Isodon Angustifolia (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Kadsura Angustifolia (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Kaempferia Angustifolia (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Lavandula Angustifolia (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Lonicera Angustifolia (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Morinda Angustifolia (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Ophelia Angustifolia (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Populus Angustifolia (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Pulicaria Angustifolia (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Rabdosia Angustifolia (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Ruta Angustifolia (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Sophora Angustifolia (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Suregada Angustifolia (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Swertia Angustifolia (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Tricholepis Angustifolia (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Turnera Angustifolia (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Typha Angustifolia (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Zamia Angustifolia (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 50

Plant Connections 50