Murrayacine

PubChem CID: 5319962

Connections displayed (default: 10).

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Compound Synonyms	Murrayacine, 27300-29-4, 3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde, 3,3-DIMETHYL-3H,11H-PYRANO[3,2-A]CARBAZOLE-5-CARBALDEHYDE, Murrayacin, 3,3-dimethyl-3H,11H-pyrano(3,2-a)carbazole-5-carbaldehyde, 3,11-Dihydro-3,3-dimethylpyrano[3,2-a]carbazole-5-carbaldehyde, NND4AMH54D, CHEBI:196268, DTXSID701318174, 3,11-Dihydro-3,3-dimethylpyrano[3,2-a]carbazole-5-carboxaldehyde, 3,3-Dimethyl-3,11-dihydropyrano[3,2-a]carbazole-5-carbaldehyde, 3,11-Dihydro-3,3-dimethylpyrano[3,2-a]carbazole-5-carboxaldehyde, 9CI, Pyrano[3,2-a]carbazole-5-carboxaldehyde, 3,11-dihydro-3,3-dimethyl-
Ghose Rule	True
Classyfire Kingdom	Organic compounds
Topological Polar Surface Area	42.1
Hydrogen Bond Donor Count	1.0
Pfizer 3 75 Rule	False
Scaffold Graph Level	C1CCC2C(C1)CC1C3CCCCC3CCC21
Np Classifier Class	Carbazole alkaloids
Deep Smiles	O=Ccccccc6OCC)C)C=C6))))))[nH]cc5cccc6
Heavy Atom Count	21.0
Classyfire Class	Indoles and derivatives
Description	Alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Murrayacine is found in herbs and spices.
Scaffold Graph Node Level	C1CCC2C(C1)NC1C3CCCOC3CCC21
Classyfire Subclass	Carbazoles
Isotope Atom Count	0.0
Molecular Complexity	458.0
Database Name	cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem
Defined Atom Stereocenter Count	0.0
Iupac Name	3,3-dimethyl-11H-pyrano[3,2-a]carbazole-5-carbaldehyde
Prediction Hob	1.0
Class	Indoles and derivatives
Veber Rule	True
Classyfire Superclass	Organoheterocyclic compounds
Xlogp	3.8
Superclass	Organoheterocyclic compounds
Subclass	Carbazoles
Gsk 4 400 Rule	False
Molecular Formula	C18H15NO2
Scaffold Graph Node Bond Level	C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1
Prediction Swissadme	0.0
Inchi Key	UBTAPPWQYRWQOH-UHFFFAOYSA-N
Silicos It Class	Moderately soluble
Fcsp3	0.1666666666666666
Logs	-4.336
Rotatable Bond Count	1.0
State	Solid
Logd	4.272
Synonyms	3,11-Dihydro-3,3-dimethylpyrano[3,2-a]carbazole-5-carboxaldehyde, 9CI, indole derivative, 22, 3,11-dihydro-3,3-dimethylpyrano[3,2-a]Carbazole-5-carboxaldehyde, 9ci, Indole derivative, 22, murrayacine
Esol Class	Moderately soluble
Functional Groups	cC=CC, cC=O, cOC, c[nH]c
Compound Name	Murrayacine
Kingdom	Organic compounds
Prediction Hob Swissadme	0.0
Exact Mass	277.11
Formal Charge	0.0
Monoisotopic Mass	277.11
Hydrogen Bond Acceptor Count	2.0
Molecular Weight	277.3
Gi Absorption	True
Covalent Unit Count	1.0
Total Atom Stereocenter Count	0.0
Total Bond Stereocenter Count	0.0
Molecular Framework	Aromatic heteropolycyclic compounds
Lipinski Rule Of 5	True
Esol	-4.326597838095238
Inchi	InChI=1S/C18H15NO2/c1-18(2)8-7-13-16-14(9-11(10-20)17(13)21-18)12-5-3-4-6-15(12)19-16/h3-10,19H,1-2H3
Smiles	CC1(C=CC2=C(O1)C(=CC3=C2NC4=CC=CC=C43)C=O)C
Nring	4.0
Np Classifier Biosynthetic Pathway	Alkaloids
Defined Bond Stereocenter Count	0.0
Egan Rule	True
Taxonomy Direct Parent	Carbazoles
Np Classifier Superclass	Tryptophan alkaloids

1. Outgoing r'ship FOUND_IN to/from Acalypha Paniculata (Plant) Rel Props:Reference:
2. Outgoing r'ship FOUND_IN to/from Acmella Paniculata (Plant) Rel Props:Reference:
3. Outgoing r'ship FOUND_IN to/from Acypha Paniculata (Plant) Rel Props:Reference:
4. Outgoing r'ship FOUND_IN to/from Aerva Koenigii (Plant) Rel Props:Reference:
5. Outgoing r'ship FOUND_IN to/from Afraegle Paniculata (Plant) Rel Props:Reference:
6. Outgoing r'ship FOUND_IN to/from Andrographis Paniculata (Plant) Rel Props:Reference:
7. Outgoing r'ship FOUND_IN to/from Ardisia Paniculata (Plant) Rel Props:Reference:
8. Outgoing r'ship FOUND_IN to/from Bergera Koenigii (Plant) Rel Props:Reference:
9. Outgoing r'ship FOUND_IN to/from Cassine Paniculata (Plant) Rel Props:Reference:
10. Outgoing r'ship FOUND_IN to/from Clausena Heptaphylla (Plant) Rel Props:Reference:ISBN:9788185042084
11. Outgoing r'ship FOUND_IN to/from Coussarea Paniculata (Plant) Rel Props:Reference:
12. Outgoing r'ship FOUND_IN to/from Crotalaria Paniculata (Plant) Rel Props:Reference:
13. Outgoing r'ship FOUND_IN to/from Dalbergia Lanceolaria (Plant) Rel Props:Reference:
14. Outgoing r'ship FOUND_IN to/from Dbergia Paniculata (Plant) Rel Props:Reference:
15. Outgoing r'ship FOUND_IN to/from Diospyros Paniculata (Plant) Rel Props:Reference:
16. Outgoing r'ship FOUND_IN to/from Erycibe Paniculata (Plant) Rel Props:Reference:
17. Outgoing r'ship FOUND_IN to/from Flemingia Paniculata (Plant) Rel Props:Reference:
18. Outgoing r'ship FOUND_IN to/from Gymnacranthera Paniculata (Plant) Rel Props:Reference:
19. Outgoing r'ship FOUND_IN to/from Hydrangea Paniculata (Plant) Rel Props:Reference:
20. Outgoing r'ship FOUND_IN to/from Ipomoea Paniculata (Plant) Rel Props:Reference:
21. Outgoing r'ship FOUND_IN to/from Jacquemontia Paniculata (Plant) Rel Props:Reference:
22. Outgoing r'ship FOUND_IN to/from Justicia Paniculata (Plant) Rel Props:Reference:
23. Outgoing r'ship FOUND_IN to/from Koelreuteria Paniculata (Plant) Rel Props:Reference:
24. Outgoing r'ship FOUND_IN to/from Meconopsis Paniculata (Plant) Rel Props:Reference:
25. Outgoing r'ship FOUND_IN to/from Microcos Paniculata (Plant) Rel Props:Reference:
26. Outgoing r'ship FOUND_IN to/from Murraya Alata (Plant) Rel Props:Reference:
27. Outgoing r'ship FOUND_IN to/from Murraya Crenulata (Plant) Rel Props:Reference:
28. Outgoing r'ship FOUND_IN to/from Murraya Elongata (Plant) Rel Props:Reference:
29. Outgoing r'ship FOUND_IN to/from Murraya Euchrestifolia (Plant) Rel Props:Reference:
30. Outgoing r'ship FOUND_IN to/from Murraya Exotica (Plant) Rel Props:Reference:
31. Outgoing r'ship FOUND_IN to/from Murraya Koenigii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
32. Outgoing r'ship FOUND_IN to/from Murraya Kwangsiensis (Plant) Rel Props:Reference:
33. Outgoing r'ship FOUND_IN to/from Murraya Microphylla (Plant) Rel Props:Reference:
34. Outgoing r'ship FOUND_IN to/from Murraya Paniculata (Plant) Rel Props:Source_db:npass_chem_all
35. Outgoing r'ship FOUND_IN to/from Murraya Siamensis (Plant) Rel Props:Reference:
36. Outgoing r'ship FOUND_IN to/from Onosma Paniculata (Plant) Rel Props:Reference:
37. Outgoing r'ship FOUND_IN to/from Ostodes Paniculata (Plant) Rel Props:Reference:
38. Outgoing r'ship FOUND_IN to/from Oxyspora Paniculata (Plant) Rel Props:Reference:
39. Outgoing r'ship FOUND_IN to/from Porana Paniculata (Plant) Rel Props:Reference:
40. Outgoing r'ship FOUND_IN to/from Sasa Paniculata (Plant) Rel Props:Reference:
41. Outgoing r'ship FOUND_IN to/from Spilanthes Paniculata (Plant) Rel Props:Reference:
42. Outgoing r'ship FOUND_IN to/from Stevia Paniculata (Plant) Rel Props:Reference:
43. Outgoing r'ship FOUND_IN to/from Swertia Paniculata (Plant) Rel Props:Reference:
44. Outgoing r'ship FOUND_IN to/from Symplocos Paniculata (Plant) Rel Props:Reference:
45. Outgoing r'ship FOUND_IN to/from Terminalia Paniculata (Plant) Rel Props:Reference:
46. Outgoing r'ship FOUND_IN to/from Vitex Paniculata (Plant) Rel Props:Reference:
47. Outgoing r'ship FOUND_IN to/from Wendlandia Paniculata (Plant) Rel Props:Reference:

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Phytochemical Properties

Associated Connections 47

Plant Connections 47