Koeniginequinone A
PubChem CID: 11264975
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| Compound Synonyms | Koeniginequinone A, 110519-58-9, 7-methoxy-3-methyl-9H-carbazole-1,4-dione, 1H-Carbazole-1,4(9H)-dione, 7-methoxy-3-methyl-, CHEMBL496241, DTXSID30460552, CHEBI:173738, 7-Methoxy-3-methyl-1,4-carbazolequinone, 7-Methoxy-3-methyl-1H-carbazole-1,4(9H)-dione, 7-METHOXY-3-METHYL-4,9-DIHYDRO-1H-CARBAZOLE-1,4-DIONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 59.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCC(C)C2C1CC1CCCCC12 |
| Np Classifier Class | Carbazole alkaloids |
| Deep Smiles | COcccccc6)[nH]cc5C=O)C=CC6=O)))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Indoles and derivatives |
| Scaffold Graph Node Level | OC1CCC(O)C2C3CCCCC3NC12 |
| Classyfire Subclass | Carbazoles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 429.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 7-methoxy-3-methyl-9H-carbazole-1,4-dione |
| Class | Indoles and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.3 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Carbazoles |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H11NO3 |
| Scaffold Graph Node Bond Level | O=C1C=CC(=O)c2c1[nH]c1ccccc21 |
| Inchi Key | FBXPHUZRLGTRFW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 7-Methoxy-3-methyl-1,4-carbazolequinone, 7-Methoxy-3-methyl-1H-carbazole-1,4(9H)-dione, koeniginequinone a |
| Esol Class | Soluble |
| Functional Groups | CC1=CC(=O)ccC1=O, cOC, c[nH]c |
| Compound Name | Koeniginequinone A |
| Kingdom | Organic compounds |
| Exact Mass | 241.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.074 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 241.24 |
| 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/C14H11NO3/c1-7-5-11(16)13-12(14(7)17)9-4-3-8(18-2)6-10(9)15-13/h3-6,15H,1-2H3 |
| Smiles | CC1=CC(=O)C2=C(C1=O)C3=C(N2)C=C(C=C3)OC |
| 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_INto/from Murraya Koenigii (Plant) Rel Props:Reference:ISBN:9770972795006