Glyinflanin G
PubChem CID: 15233561
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| Compound Synonyms | Glyinflanin G, LMPK12120085, (E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one, 164123-53-9 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC(CCC1CCC2CCCCC2C1)C1CCC2CCCCC2C1 |
| Np Classifier Class | Chalcones |
| Deep Smiles | Occc/C=C/C=O)cccccc6O))C=CCO6)C)C))))))))))))ccc6OCC)C)C=C6 |
| Heavy Atom Count | 30.0 |
| Classyfire Class | Linear 1,3-diarylpropanoids |
| Scaffold Graph Node Level | OC(CCC1CCC2OCCCC2C1)C1CCC2OCCCC2C1 |
| Classyfire Subclass | Chalcones and dihydrochalcones |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 749.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(8-hydroxy-2,2-dimethylchromen-6-yl)prop-2-en-1-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.4 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H24O5 |
| Scaffold Graph Node Bond Level | O=C(C=Cc1ccc2c(c1)C=CCO2)c1ccc2c(c1)C=CCO2 |
| Inchi Key | JIQHAMDPLDKKBS-FNORWQNLSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | glyinflanin g |
| Esol Class | Moderately soluble |
| Functional Groups | c/C=C/C(c)=O, cC=CC, cO, cOC |
| Compound Name | Glyinflanin G |
| Exact Mass | 404.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 404.162 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 404.5 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C25H24O5/c1-24(2)12-10-18-21(29-24)8-6-17(22(18)28)19(26)7-5-15-13-16-9-11-25(3,4)30-23(16)20(27)14-15/h5-14,27-28H,1-4H3/b7-5+ |
| Smiles | CC1(C=CC2=C(O1)C(=CC(=C2)/C=C/C(=O)C3=C(C4=C(C=C3)OC(C=C4)(C)C)O)O)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Reference:ISBN:9780896038776