Biflavanone
PubChem CID: 10906409
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| Compound Synonyms | biflavanone, SCHEMBL6704259 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 52.6 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCCC2)(C2(C3CCCCC3)CC(C)C3CCCCC3C2)CC2CCCCC12 |
| Np Classifier Class | Flavanones |
| Deep Smiles | O=CCCOcc6cccc6)))))))cccccc6))))))CCC=O)ccO6)cccc6))))))))cccccc6 |
| Heavy Atom Count | 34.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCCC2)(C2(C3CCCCC3)CC(O)C3CCCCC3O2)OC2CCCCC12 |
| Classyfire Subclass | Flavans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 702.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(4-oxo-2-phenyl-3H-chromen-2-yl)-2-phenyl-3H-chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.2 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C30H22O4 |
| Scaffold Graph Node Bond Level | O=C1CC(c2ccccc2)(C2(c3ccccc3)CC(=O)c3ccccc3O2)Oc2ccccc21 |
| Inchi Key | VKXZCPLFHFDCCT-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | biflavanone |
| Esol Class | Poorly soluble |
| Functional Groups | cC(C)=O, cOC |
| Compound Name | Biflavanone |
| Exact Mass | 446.152 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 446.152 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 446.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C30H22O4/c31-25-19-29(21-11-3-1-4-12-21,33-27-17-9-7-15-23(25)27)30(22-13-5-2-6-14-22)20-26(32)24-16-8-10-18-28(24)34-30/h1-18H,19-20H2 |
| Smiles | C1C(=O)C2=CC=CC=C2OC1(C3=CC=CC=C3)C4(CC(=O)C5=CC=CC=C5O4)C6=CC=CC=C6 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Flavonoids |
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