gamma-Pyrufuran
PubChem CID: 185310
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| Compound Synonyms | gamma-Pyrufuran, 1,3,4-trimethoxydibenzofuran-2,7-diol, 93973-18-3, 2,7-Dibenzofurandiol, 1,3,4-trimethoxy-, 2B5F34CJ54, g-Pyrufuran, UNII-2B5F34CJ54, DTXSID70916801, CHEBI:174758, 1,3,4-trimethoxydibenzouran-2,7-diol, 2,7-Dihydroxy-1,3,4-trimethoxydibenzofuran, 1,3,4-Trimethoxydibenzo[b,d]furan-2,7-diol, 3,5,6-trimethoxy-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(13),2,4,6,9,11-hexaene-4,11-diol |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 81.3 |
| Hydrogen Bond Donor Count | 2.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCC2C(C1)CC1CCCCC12 |
| Np Classifier Class | Plant xanthones |
| Deep Smiles | COccO)cOC))ccc6OC)))occ5cccc6)O |
| Heavy Atom Count | 21.0 |
| Classyfire Class | Benzofurans |
| Scaffold Graph Node Level | C1CCC2C(C1)OC1CCCCC12 |
| Classyfire Subclass | Dibenzofurans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 364.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,4-trimethoxydibenzofuran-2,7-diol |
| Class | Benzofurans |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 2.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Dibenzofurans |
| Gsk 4 400 Rule | True |
| Molecular Formula | C15H14O6 |
| Scaffold Graph Node Bond Level | c1ccc2c(c1)oc1ccccc12 |
| Inchi Key | KHGAPBYQBHBCBX-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | g-Pyrufuran, Γ-pyrufuran, 1,3,4-Trimethoxydibenzofuran-2,7-diol, 2,7-Dihydroxy-1,3,4-trimethoxydibenzofuran, gamma-pyrufuran |
| Esol Class | Soluble |
| Functional Groups | cO, cOC, coc |
| Compound Name | gamma-Pyrufuran |
| Kingdom | Organic compounds |
| Exact Mass | 290.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 290.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 290.27 |
| 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/C15H14O6/c1-18-12-10-8-5-4-7(16)6-9(8)21-13(10)15(20-3)14(19-2)11(12)17/h4-6,16-17H,1-3H3 |
| Smiles | COC1=C(C(=C(C2=C1C3=C(O2)C=C(C=C3)O)OC)OC)O |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Dibenzofurans |
| Np Classifier Superclass | Xanthones |
- 1. Outgoing r'ship
FOUND_INto/from Pyrus Communis (Plant) Rel Props:Reference:ISBN:9788185042138