Hallacridone
PubChem CID: 14380428
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| Compound Synonyms | Hallacridone, 109897-77-0, 2-Acetyl-5-hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one, 2-ACETYL-5-HYDROXY-11-METHYLFURO[2,3-C]ACRIDIN-6-ONE, E49MD5V4E8, CHEBI:170087, DTXSID301195685, 2-acetyl-5-hydroxy-11-methyluro[2,3-c]acridin-6-one, 2-Ethanoyl-11-methyl-5-oxidanyl-furo(2,3-c)acridin-6-one, 2-Acetyl-5-hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one, 9CI, Furo[2,3-c]acridin-6(11H)-one, 2-acetyl-5-hydroxy-11-methyl- |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 70.8 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2C3CCCC3CCC12 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | CC=O)coccc5)cccc6)O))c=O)ccn6C))cccc6 |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Quinolines and derivatives |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2C3CCOC3CCC12 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 521.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-acetyl-5-hydroxy-11-methylfuro[2,3-c]acridin-6-one |
| Class | Quinolines and derivatives |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 3.7 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Benzoquinolines |
| Gsk 4 400 Rule | True |
| Molecular Formula | C18H13NO4 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2c1ccc1occc12 |
| Inchi Key | GZVRDNACRGJZNW-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 1.0 |
| State | Solid |
| Synonyms | 2-Acetyl-5-hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one, 9ci, hallacridone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cC(C)=O, cO, cn(c)C, coc |
| Compound Name | Hallacridone |
| Kingdom | Organic compounds |
| Exact Mass | 307.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 307.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 307.3 |
| 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/C18H13NO4/c1-9(20)14-7-11-15(23-14)8-13(21)16-17(11)19(2)12-6-4-3-5-10(12)18(16)22/h3-8,21H,1-2H3 |
| Smiles | CC(=O)C1=CC2=C(O1)C=C(C3=C2N(C4=CC=CC=C4C3=O)C)O |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Acridones |
| Np Classifier Superclass | Anthranilic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:ISBN:9788185042138; ISBN:9788185042145