Kanjone
PubChem CID: 12305449
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| Compound Synonyms | Kanjone, 6-methoxy-2-phenylfuro(2,3-h)chromen-4-one, 6-methoxy-2-phenylfuro[2,3-h]chromen-4-one, SCHEMBL5463385, CHEBI:196225, LMPK12110060, 1094-12-8, 6-methoxy-2-phenyluro[2,3-h]chromen-4-one, 6-METHOXY-2-PHENYL-4H-FURO[2,3-H]CHROMEN-4-ONE |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 48.7 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)CC2C1CCC1CCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccc=O)ccoc6cc%10occ5)))))))cccccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2C1CCC1OCCC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 466.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-2-phenylfuro[2,3-h]chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.6 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H12O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2c1ccc1occc12 |
| Inchi Key | OVAZJVLXWGEKHQ-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | kangone, kanjone |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | Kanjone |
| Exact Mass | 292.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.3 |
| 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/C18H12O4/c1-20-16-9-13-14(19)10-15(11-5-3-2-4-6-11)22-17(13)12-7-8-21-18(12)16/h2-10H,1H3 |
| Smiles | COC1=C2C(=C3C(=C1)C(=O)C=C(O3)C4=CC=CC=C4)C=CO2 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Pongamia Pinnata (Plant) Rel Props:Reference:https://www.ncbi.nlm.nih.gov/pubmed/16460930 - 2. Outgoing r'ship
FOUND_INto/from Tephrosia Purpurea (Plant) Rel Props:Reference:ISBN:9788172363178