Mukonicine
PubChem CID: 86242003
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| Compound Synonyms | Mukonicine, 3,11-Dihydro-8,10-dimethoxy-3,3,5-trimethylpyrano[3,2-a]carbazole, 9CI, 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano(3,2-a)carbazole, 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole, 3,11-Dihydro-8,10-dimethoxy-3,3,5-trimethylpyrano(3,2-a)carbazole, 9ci, 88607-43-6 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 43.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1C3CCCCC3CCC21 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccOC))ccc6[nH]cc5cccc6C=CCO6)C)C))))))C |
| Heavy Atom Count | 24.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | C1CCC2C(C1)NC1C3CCCOC3CCC21 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 505.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8,10-dimethoxy-3,3,5-trimethyl-11H-pyrano[3,2-a]carbazole |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 4.6 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | False |
| Molecular Formula | C20H21NO3 |
| Scaffold Graph Node Bond Level | C1=Cc2c(ccc3c2[nH]c2ccccc23)OC1 |
| Inchi Key | APZRRMFSHXMDTQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| State | Solid |
| Synonyms | 3,11-Dihydro-8,10-dimethoxy-3,3,5-trimethylpyrano[3,2-a]carbazole, 9ci, mukonicine |
| Esol Class | Moderately soluble |
| Functional Groups | cC=CC, cOC, c[nH]c |
| Compound Name | Mukonicine |
| Kingdom | Organic compounds |
| Exact Mass | 323.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 323.152 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 323.4 |
| 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 |
| Inchi | InChI=1S/C20H21NO3/c1-11-8-14-15-9-12(22-4)10-16(23-5)18(15)21-17(14)13-6-7-20(2,3)24-19(11)13/h6-10,21H,1-5H3 |
| Smiles | CC1=CC2=C(C3=C1OC(C=C3)(C)C)NC4=C2C=C(C=C4OC)OC |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Carbazoles |
| Np Classifier Superclass | Tryptophan alkaloids |
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FOUND_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006