Dioonflavone
PubChem CID: 3336566
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | DIOONFLAVONE, 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one, SPBio_001931, 8-(5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl)-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one, Spectrum2_001926, CHEMBL5189066, CCG-38493, AO-079/15259248, 3778-26-5, 8-[5-(5,7-dimethoxy-4-oxo-4H-chromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)-4H-chromen-4-one |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 108.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CC(C2CCCC(C3CCCC4C(C)CC(C5CCCCC5)CC43)C2)CC2CCCCC12 |
| Np Classifier Class | Flavones |
| Deep Smiles | COcccccc6))ccc=O)cco6)cccc6OC))))OC)))cccccc6OC)))))ccc=O)cco6)cccc6OC))))OC |
| Heavy Atom Count | 46.0 |
| Classyfire Class | Flavonoids |
| Scaffold Graph Node Level | OC1CC(C2CCCC(C3CCCC4C(O)CC(C5CCCCC5)OC43)C2)OC2CCCCC12 |
| Classyfire Subclass | Biflavonoids and polyflavonoids |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1140.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-[5-(5,7-dimethoxy-4-oxochromen-2-yl)-2-methoxyphenyl]-5,7-dimethoxy-2-(4-methoxyphenyl)chromen-4-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Phenylpropanoids and polyketides |
| Xlogp | 5.9 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C36H30O10 |
| Scaffold Graph Node Bond Level | O=c1cc(-c2cccc(-c3cccc4c(=O)cc(-c5ccccc5)oc34)c2)oc2ccccc12 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MZDGQNFFUITEAB-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.1666666666666666 |
| Logs | -7.664 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.011 |
| Synonyms | amentoflavone hexamethyl ether, dioonflavone |
| Esol Class | Poorly soluble |
| Functional Groups | c=O, cOC, coc |
| Compound Name | Dioonflavone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 622.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 622.184 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 622.6 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | -6.336363808695652 |
| Inchi | InChI=1S/C36H30O10/c1-39-21-10-7-19(8-11-21)27-17-25(38)35-31(44-6)18-30(43-5)33(36(35)46-27)23-13-20(9-12-26(23)41-3)28-16-24(37)34-29(42-4)14-22(40-2)15-32(34)45-28/h7-18H,1-6H3 |
| Smiles | COC1=CC=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C=C3OC)OC)C4=C(C=CC(=C4)C5=CC(=O)C6=C(O5)C=C(C=C6OC)OC)OC |
| Nring | 6.0 |
| Np Classifier Biosynthetic Pathway | Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Flavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Artabotrys Hexapetalus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Quercus Infectoria (Plant) Rel Props:Reference:ISBN:9780387706375; ISBN:9788185042145