Furofoline I
PubChem CID: 5281842
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Furofoline I, Furacridone, Furofoline, 6254-22-4, 5-hydroxy-11-methylfuro[2,3-c]acridin-6-one, 62541-22-4, CHEBI:5197, DTXSID90415200, ZFFUGPKCSIVPEI-UHFFFAOYSA-N, DB-296108, NS00094850, 5-Hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one, Q27106688, 5-Hydroxy-11-methyl-Furo[2,3-c]acridin-6(11H)-one, 5-Hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one #, 5-Hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one, 9CI, Furo[2,3-c]acridin-6(11H)-one, 5-hydroxy-11-methyl-, 5-HYDROXY-11-METHYL-6H,11H-FURO[2,3-C]ACRIDIN-6-ONE, InChI=1/C16H11NO3/c1-17-11-5-3-2-4-9(11)16(19)14-12(18)8-13-10(15(14)17)6-7-20-13/h2-8,18H,1H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 53.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2CC2C3CCCC3CCC12 |
| Np Classifier Class | Acridone alkaloids |
| Deep Smiles | Occcoccc5cc9c=O)cccccc6n%10C |
| Heavy Atom Count | 20.0 |
| Classyfire Class | Quinolines and derivatives |
| Description | Alkaloid from the roots of Ruta graveolens (rue). Furofoline is found in herbs and spices. |
| Scaffold Graph Node Level | OC1C2CCCCC2NC2C3CCOC3CCC12 |
| Classyfire Subclass | Benzoquinolines |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 413.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 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 | C16H11NO3 |
| Scaffold Graph Node Bond Level | O=c1c2ccccc2[nH]c2c1ccc1occc12 |
| Inchi Key | ZFFUGPKCSIVPEI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 5-Hydroxy-11-methyl-furo[2,3-c]acridin-6(11H)-one, 5-Hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one, 9CI, Furacridone, Furo[2,3-c]acridin-6(11H)-one, 5-hydroxy-11-methyl-, Furofoline I, 5-Hydroxy-11-methylfuro[2,3-c]acridin-6(11H)-one, 9ci, furacridone, furofoline i |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cO, cn(c)C, coc |
| Compound Name | Furofoline I |
| Kingdom | Organic compounds |
| Exact Mass | 265.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 265.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 265.26 |
| 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/C16H11NO3/c1-17-11-5-3-2-4-9(11)16(19)14-12(18)8-13-10(15(14)17)6-7-20-13/h2-8,18H,1H3 |
| Smiles | CN1C2=CC=CC=C2C(=O)C3=C1C4=C(C=C3O)OC=C4 |
| 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 Glycosmis Parviflora (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Ruta Graveolens (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/17345275