Canthin-2,6-dione
PubChem CID: 14082276
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| Compound Synonyms | canthin-2,6-dione, CHEMBL504106 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC2CCC(C)C3C4CCCCC4C(C1)C23 |
| Np Classifier Class | Carboline alkaloids |
| Deep Smiles | O=c[nH]cccc=O)nc6cc%10)cccccc96 |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Indolonaphthyridine alkaloids |
| Scaffold Graph Node Level | OC1CC2C3CCCCC3N3C(O)CCC(N1)C23 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 556.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-3,5(16),8,10,12,14-hexaene-2,7-dione |
| Veber Rule | True |
| Classyfire Superclass | Alkaloids and derivatives |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C14H8N2O2 |
| Scaffold Graph Node Bond Level | O=c1cc2c3ccccc3n3c(=O)ccc([nH]1)c23 |
| Inchi Key | BDCOKQCMZJCYDY-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | canthin-2,6-dione |
| Esol Class | Soluble |
| Functional Groups | c=O, c[nH]c, cn(c)c |
| Compound Name | Canthin-2,6-dione |
| Exact Mass | 236.059 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 236.059 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 236.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C14H8N2O2/c17-12-7-9-8-3-1-2-4-11(8)16-13(18)6-5-10(15-12)14(9)16/h1-7H,(H,15,17) |
| Smiles | C1=CC=C2C(=C1)C3=CC(=O)NC4=C3N2C(=O)C=C4 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Tryptophan alkaloids |
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