Ovalitenin B
PubChem CID: 15160711
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| Compound Synonyms | Ovalitenin B, Ovalitnin B, 64280-21-3, 3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropan-1-one, CHEBI:188338, LMPK12120583, AKOS040734599, NS00097264, 3-methoxy-1-(4-methoxybenzofuran-5-yl)-3-phenylpropan-1-one, 3-methoxy-1-(4-methoxy-1-benzouran-5-yl)-3-phenylpropan-1-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 | CC(CCC1CCCCC1)C1CCC2CCCC2C1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | COCcccccc6))))))CC=O)cccccc6OC)))cco5 |
| Heavy Atom Count | 23.0 |
| Classyfire Class | Benzene and substituted derivatives |
| Scaffold Graph Node Level | OC(CCC1CCCCC1)C1CCC2OCCC2C1 |
| Classyfire Subclass | Butyrophenones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 391.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-methoxy-1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropan-1-one |
| Veber Rule | True |
| Classyfire Superclass | Benzenoids |
| Xlogp | 3.3 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C19H18O4 |
| Scaffold Graph Node Bond Level | O=C(CCc1ccccc1)c1ccc2occc2c1 |
| Inchi Key | AADNEQWIZKTMBL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 6.0 |
| Synonyms | ovalitenin b, ovalitnin b |
| Esol Class | Soluble |
| Functional Groups | COC, cC(C)=O, cOC, coc |
| Compound Name | Ovalitenin B |
| Exact Mass | 310.121 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 310.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 310.3 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C19H18O4/c1-21-18(13-6-4-3-5-7-13)12-16(20)14-8-9-17-15(10-11-23-17)19(14)22-2/h3-11,18H,12H2,1-2H3 |
| Smiles | COC1=C(C=CC2=C1C=CO2)C(=O)CC(C3=CC=CC=C3)OC |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
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