Euchrenone b7
PubChem CID: 14704592
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Euchrenone b7, 5-hydroxy-6-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-8,8-dimethylpyrano(2,3-h)chromen-4-one, 5-hydroxy-6-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one, LMPK12050217, 130170-03-5 |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C(C2CCCCC2)CCC2C3CCCCC3CCC12 |
| Np Classifier Class | Isoflavones |
| Deep Smiles | Occcccc6))ccoccc6=O))cO)ccc6C=CCO6)C)C))))))CCCO)C)C |
| Heavy Atom Count | 31.0 |
| Classyfire Class | Isoflavonoids |
| Scaffold Graph Node Level | OC1C(C2CCCCC2)COC2C3CCCOC3CCC12 |
| Classyfire Subclass | Isoflavans |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 745.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-hydroxy-6-(3-hydroxy-3-methylbutyl)-3-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 4.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C25H26O6 |
| Scaffold Graph Node Bond Level | O=c1c(-c2ccccc2)coc2c3c(ccc12)OCC=C3 |
| Inchi Key | BPXHIAACGCIWGL-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Rotatable Bond Count | 4.0 |
| Synonyms | euchrenone b7 |
| Esol Class | Moderately soluble |
| Functional Groups | CO, c=O, cC=CC, cO, cOC, coc |
| Compound Name | Euchrenone b7 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| 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/C25H26O6/c1-24(2,29)11-9-16-20(27)19-21(28)18(14-5-7-15(26)8-6-14)13-30-23(19)17-10-12-25(3,4)31-22(16)17/h5-8,10,12-13,26-27,29H,9,11H2,1-4H3 |
| Smiles | CC1(C=CC2=C3C(=C(C(=C2O1)CCC(C)(C)O)O)C(=O)C(=CO3)C4=CC=C(C=C4)O)C |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Isoflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Euchresta Horsfieldii (Plant) Rel Props:Reference:ISBN:9788172362300; ISBN:9788185042145