Azacridone A
PubChem CID: 10357912
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| Compound Synonyms | Azacridone A, 150050-14-9, 6-hydroxy-3,3,12-trimethylchromeno[5,6-b][1,7]naphthyridin-7-one, CHEBI:174947, DTXSID801125526, 11-hydroxy-2,2,5-trimethyl-5,10-dihydro-2H-1-oxa-5,7-diazatetraphen-10-one, 3,12-Dihydro-6-hydroxy-3,3,12-trimethyl-7H-[1]benzopyrano[5,6-b][1,7]naphthyridin-7-one |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 62.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2C3CCCCC3CCC12 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | OcccOCC)C)C=Cc6cc%10c=O)ccn6C))cncc6 |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzopyrans |
| Description | Alkaloid from roots of Citrus paradisi (grapefruit). Azacridone A is found in citrus. |
| Scaffold Graph Node Level | OC1C2CCNCC2NC2C3CCCOC3CCC12 |
| Classyfire Subclass | 1-benzopyrans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 532.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-hydroxy-3,3,12-trimethylchromeno[5,6-b][1,7]naphthyridin-7-one |
| Class | Benzopyrans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.8 |
| Superclass | Organoheterocyclic compounds |
| Subclass | 1-benzopyrans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H16N2O3 |
| Scaffold Graph Node Bond Level | O=c1c2ccncc2[nH]c2c3c(ccc12)OCC=C3 |
| Inchi Key | GSYTWFSUSXURDO-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | Azacridone a, azacridone a |
| Esol Class | Soluble |
| Functional Groups | c=O, cC=CC, cO, cOC, cn(c)C, cnc |
| Compound Name | Azacridone A |
| Kingdom | Organic compounds |
| Exact Mass | 308.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 308.116 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 308.3 |
| 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/C18H16N2O3/c1-18(2)6-4-11-14(23-18)8-13(21)15-16(11)20(3)12-9-19-7-5-10(12)17(15)22/h4-9,21H,1-3H3 |
| Smiles | CC1(C=CC2=C(O1)C=C(C3=C2N(C4=C(C3=O)C=CN=C4)C)O)C |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Chromenopyridines |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Citrus Paradisi (Plant) Rel Props:Reference:ISBN:9788185042145