Murrayazolinol
PubChem CID: 180314
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| Compound Synonyms | Murrayazolinol, 125287-09-4, DTXSID20925069, 2,9,9,12-Tetramethyl-9a,10,11,12,13,13a-hexahydro-9H-1,12-epoxyindolo[3,2,1-de]phenanthridin-11-ol, 3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.1^{2,17}.0^{5,20}.0^{6,11}.0^{14,19}]henicosa-1(20),2,4,6,8,10-hexaen-16-ol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 34.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)C1CCC3CC4CCC5CC2C1C3C5C4 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | Cccccccccc6nc9cc%13OCC)CC6CC%10C)C))CC6O |
| Heavy Atom Count | 26.0 |
| Classyfire Class | Quinolines and derivatives |
| Description | Minor alkaloid from the stem bark of Murraya koenigii (curryleaf tree). Murrayazolinol is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)C1CCC3OC4CCC5CN2C1C3C5C4 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 619.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,13,13,17-tetramethyl-21-oxa-12-azahexacyclo[10.7.1.12,17.05,20.06,11.014,19]henicosa-1,3,5(20),6,8,10-hexaen-16-ol |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.2 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Gsk 4 400 Rule | False |
| Molecular Formula | C23H25NO2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)c1ccc3c4c1n2CC1CCC(CC41)O3 |
| Inchi Key | SIYXICWJEWHFMI-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | Murrayazolinol, murrayazolinol |
| Esol Class | Moderately soluble |
| Functional Groups | CO, cOC, cn(c)C |
| Compound Name | Murrayazolinol |
| Kingdom | Organic compounds |
| Exact Mass | 347.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 347.189 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 347.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C23H25NO2/c1-12-9-14-13-7-5-6-8-17(13)24-20(14)19-15-11-23(4,26-21(12)19)18(25)10-16(15)22(24,2)3/h5-9,15-16,18,25H,10-11H2,1-4H3 |
| Smiles | CC1=CC2=C3C4=C1OC5(CC4C(CC5O)C(N3C6=CC=CC=C62)(C)C)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Phenanthridines and derivatives |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788172360818 - 2. Outgoing r'ship
FOUND_INto/from Murraya Paniculata (Plant) Rel Props:Reference:ISBN:9788172362461; ISBN:9788185042145