Ponganone XI
PubChem CID: 15160714
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| Compound Synonyms | Ponganone XI, 6-methoxy-7-phenylfuro(3,2-g)chromen-5-one, 6-methoxy-7-phenylfuro[3,2-g]chromen-5-one, CHEBI:196231, LMPK12111543, 6-methoxy-7-phenyluro[3,2-g]chromen-5-one, 142608-97-7 |
|---|---|
| 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)CC2CC3CCCC3CC12 |
| Np Classifier Class | Flavonols |
| Deep Smiles | COccoccc6=O))cccc6)occ5)))))))))cccccc6 |
| Heavy Atom Count | 22.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)OC2CC3OCCC3CC12 |
| Classyfire Subclass | Flavones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 477.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6-methoxy-7-phenylfuro[3,2-g]chromen-5-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 3.8 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C18H12O4 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2ccccc2)oc2cc3occc3cc12 |
| Inchi Key | NEPXOYCAYKISIF-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | ponganone 11(3-methoxy-furano-(2",3,7",6)-flavone), ponganone xi |
| Esol Class | Moderately soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | Ponganone XI |
| 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/c1-20-18-16(19)13-9-12-7-8-21-14(12)10-15(13)22-17(18)11-5-3-2-4-6-11/h2-10H,1H3 |
| Smiles | COC1=C(OC2=C(C1=O)C=C3C=COC3=C2)C4=CC=CC=C4 |
| 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:ISBN:9788185042145