Murrastifoline F
PubChem CID: 10432278
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| Compound Synonyms | Murrastifoline F, CHEBI:169887, DTXSID401233985, 155519-85-0, 1,1'-Dimethoxy-3,3'-dimethyl-4,9'-bi-9H-carbazole, 9CI, 1,1a(2)-Dimethoxy-3,3a(2)-dimethyl-4,9a(2)-bi-9H-carbazole, 1-methoxy-4-(1-methoxy-3-methylcarbazol-9-yl)-3-methyl-9H-carbazole, 1-methoxy-9-(1-methoxy-3-methyl-9H-carbazol-4-yl)-3-methyl-9H-carbazole |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 39.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCC(C3C4CCCCC4C4CCCCC43)C12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccC)ccc6nccC)cccc6cccccc6[nH]9)))))))))OC))))))cc5cccc6 |
| Heavy Atom Count | 32.0 |
| Classyfire Class | Indoles and derivatives |
| Description | Alkaloid from roots of Murraya koenigii (curryleaf tree). Murrastifoline F is found in herbs and spices. |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1CCCC(N3C4CCCCC4C4CCCCC43)C12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 672.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methoxy-4-(1-methoxy-3-methylcarbazol-9-yl)-3-methyl-9H-carbazole |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 7.1 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | False |
| Molecular Formula | C28H24N2O2 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)[nH]c1cccc(-n3c4ccccc4c4ccccc43)c12 |
| Inchi Key | OBQIZMYFDVTSTF-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | 1,1'-Dimethoxy-3,3'-dimethyl-4,9'-bi-9H-carbazole, 9CI, 1,1'-Dimethoxy-3,3'-dimethyl-4,9'-bi-9H-carbazole, 9ci, murrastifoline f |
| Esol Class | Poorly soluble |
| Functional Groups | c-n(c)c, cOC, c[nH]c |
| Compound Name | Murrastifoline F |
| Kingdom | Organic compounds |
| Exact Mass | 420.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.184 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 420.5 |
| Gi Absorption | False |
| 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 |
| Inchi | InChI=1S/C28H24N2O2/c1-16-13-20-18-9-6-8-12-22(18)30(28(20)24(14-16)32-4)27-17(2)15-23(31-3)26-25(27)19-10-5-7-11-21(19)29-26/h5-15,29H,1-4H3 |
| Smiles | CC1=CC2=C(C(=C1)OC)N(C3=CC=CC=C32)C4=C5C6=CC=CC=C6NC5=C(C=C4C)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9788185042145