Laudanine

PubChem CID: 92732

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Compound Synonyms	Laudanine, 85-64-3, CHEBI:76103, dl-laudanidine, 994445H0VB, 5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol, Laudanin, DL-laudanosoline, rac-laudanosoline, DL-Laudanine, UNII-994445H0VB, (R)-Laudanidine, (RS)-laudanosoline, EINECS 201-620-6, racemic laudanosoline, (+-)-laudanosoline, COCLANOLINE B, LAUDANINE [MI], (+/-)-LAUDANINE, (+/-)-LAUDANIDINE, MLS000574863, SCHEMBL679496, CHEMBL1425007, CHEBI:76106, LAUDANIDINE, (+/-)-, DTXSID00871570, HMS2216O15, HMS3344M15, AKOS000278035, 5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol, NCGC00247608-01, SMR000156286, NS00041023, C17592, AK-198/11618045, Q27893877, rac-5-[(6,7-dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]-2-methoxyphenol, 2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)PHENOL, PHENOL, 2-METHOXY-5-((1,2,3,4-TETRAHYDRO-6,7-DIMETHOXY-2-METHYL-1-ISOQUINOLINYL)METHYL)-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	51.2
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC(CC2CCCC3CCCCC32)CC1
Np Classifier Class	Isoquinoline alkaloids, Tetrahydroisoquinoline alkaloids
Deep Smiles	COcccccc6O)))CCNC)CCcc6ccOC))cc6)OC
Heavy Atom Count	25.0
Classyfire Class	Isoquinolines and derivatives
Description	Alkaloid from Papaver somniferum (opium poppy). Laudanine is found in opium poppy.
Scaffold Graph Node Level	C1CCC(CC2NCCC3CCCCC32)CC1
Classyfire Subclass	Benzylisoquinolines
Isotope Atom Count	0.0
Molecular Complexity	421.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Uniprot Id	O94925, O75496
Iupac Name	5-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol
Prediction Hob	1.0
Class	Isoquinolines and derivatives
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	3.3
Superclass	Organoheterocyclic compounds
Subclass	Benzylisoquinolines
Gsk 4 400 Rule	True
Molecular Formula	C20H25NO4
Scaffold Graph Node Bond Level	c1ccc(CC2NCCc3ccccc32)cc1
Prediction Swissadme	1.0
Inchi Key	MPYHGNAJOKCMAQ-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.4
Logs	-2.323
Rotatable Bond Count	5.0
State	Solid
Logd	3.076
Synonyms	Laudanine, (-)-Laudanidine, DL-Laudanine, Tritopin, Tritopine, laudanine
Substituent Name	Benzylisoquinoline, Tetrahydroisoquinoline, Methoxyphenol, Methoxybenzene, Phenol ether, Anisole, Aralkylamine, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Tertiary aliphatic amine, Tertiary amine, Azacycle, Ether, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Amine, Aromatic heteropolycyclic compound
Esol Class	Moderately soluble
Functional Groups	CN(C)C, cO, cOC
Compound Name	Laudanine
Kingdom	Organic compounds
Prediction Hob Swissadme	1.0
Exact Mass	343.178
Formal Charge	0.0
Monoisotopic Mass	343.178
Hydrogen Bond Acceptor Count	5.0
Molecular Weight	343.4
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	1.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-4.098622600000001
Inchi	InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-18(23-2)17(22)10-13/h5-6,10-12,16,22H,7-9H2,1-4H3
Smiles	CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)O)OC)OC
Nring	3.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Benzylisoquinolines
Np Classifier Superclass	Tyrosine alkaloids

1. Outgoing r'ship FOUND_IN to/from Cocculus Laurifolius (Plant) Rel Props:Reference:ISBN:9788185042053
2. Outgoing r'ship FOUND_IN to/from Papaver Album (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Papaver Argemone (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Papaver Bracteatum (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Papaver Caucasicum (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Papaver Commutatum (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Papaver Dubium (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Papaver Fugax (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Papaver Glaucum (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Papaver Hybrid (Plant) Rel Props:Reference:
11. Outgoing r'ship FOUND_IN to/from Papaver Hybridum (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Papaver Nudicaule (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Papaver Orientale (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Papaver Persicum (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Papaver Pseudocanescens (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Papaver Radicatum (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Papaver Rhoeas (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Papaver Sommiferum (Plant) Rel Props:Source_db:npass_chem_all
19. Outgoing r'ship FOUND_IN to/from Papaver Somniferum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all
20. Outgoing r'ship FOUND_IN to/from Papaver Tatricum (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Thalictrum Acutifolium (Plant) Rel Props:Reference:
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25. Outgoing r'ship FOUND_IN to/from Thalictrum Cultratum (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Thalictrum Dasycarpum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
27. Outgoing r'ship FOUND_IN to/from Thalictrum Delavayi (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Thalictrum Elegans (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Thalictrum Faberi (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Thalictrum Fauriei (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Thalictrum Fendleri (Plant) Rel Props:Reference:
32. Outgoing r'ship FOUND_IN to/from Thalictrum Filamentosum (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Thalictrum Flavum (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Thalictrum Foetidum (Plant) Rel Props:Reference:
35. Outgoing r'ship FOUND_IN to/from Thalictrum Foliolosum (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Thalictrum Fortunei (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Thalictrum Glandulosissimum (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Thalictrum Glaucum (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Thalictrum Hernandezii (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Thalictrum Ichangense (Plant) Rel Props:Reference:
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42. Outgoing r'ship FOUND_IN to/from Thalictrum Javanicum (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Thalictrum Longistylum (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Thalictrum Lucidum (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Thalictrum Microgynum (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Thalictrum Minus (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Thalictrum Omeiense (Plant) Rel Props:Reference:
48. Outgoing r'ship FOUND_IN to/from Thalictrum Pedunculatum (Plant) Rel Props:Reference:
49. Outgoing r'ship FOUND_IN to/from Thalictrum Petaloideum (Plant) Rel Props:Reference:
50. Outgoing r'ship FOUND_IN to/from Thalictrum Podocarpum (Plant) Rel Props:Reference:
51. Outgoing r'ship FOUND_IN to/from Thalictrum Polygamum (Plant) Rel Props:Reference:
52. Outgoing r'ship FOUND_IN to/from Thalictrum Reniforme (Plant) Rel Props:Reference:
53. Outgoing r'ship FOUND_IN to/from Thalictrum Revolutum (Plant) Rel Props:Reference:
54. Outgoing r'ship FOUND_IN to/from Thalictrum Rugosum (Plant) Rel Props:Reference:
55. Outgoing r'ship FOUND_IN to/from Thalictrum Simplex (Plant) Rel Props:Reference:
56. Outgoing r'ship FOUND_IN to/from Thalictrum Squarrosum (Plant) Rel Props:Reference:
57. Outgoing r'ship FOUND_IN to/from Thalictrum Strictum (Plant) Rel Props:Reference:

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Laudanine

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Phytochemical Properties

Associated Connections 57

Plant Connections 57