Diapocynin
PubChem CID: 9927489
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| Compound Synonyms | diapocynin, 29799-22-2, Dehydrodiacetovanillone, A65KM2ZD49, UNII-A65KM2ZD49, DTXSID701032857, 3',3'''-Biacetophenone, 4',4'''-dihydroxy-5',5'''-dimethoxy-, 1-[3-(5-acetyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxyphenyl]ethanone, 1,1'-(6,6'-Dihydroxy-5,5'-dimethoxy(1,1'-biphenyl)-3,3'-diyl)bis(ethanone), Ethanone, 1,1'-(6,6'-dihydroxy-5,5'-dimethoxy(1,1'-biphenyl)-3,3'-diyl)bis-, 1,1'-(6,6'-Dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)bis[ethanone], Ethanone, 1,1'-(6,6'-dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)bis-, CHEMBL38775, SCHEMBL4548341, DTXCID801517884, GLXC-02522, AKOS037643446, AS-16460, HY-121097, CS-0079445, 1-(5'-Acetyl-6,2'-dihydroxy-5,3'-dimethoxy-biphenyl-3-yl)-ethanone, 1,1'-(6,6'-Dihydroxy-5,5'-dimethoxy-[1,1'-biphenyl]-3,3'-diyl)bis(ethan-1-one), 1,1'-(6,6'-dihydroxy-5,5'-dimethoxy[1,1'-biphenyl]-3,3'-diyl)bis-ethanone |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 24.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 422.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-[3-(5-acetyl-2-hydroxy-3-methoxyphenyl)-4-hydroxy-5-methoxyphenyl]ethanone |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C18H18O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HLNDPICGHQGWSU-UHFFFAOYSA-N |
| Fcsp3 | 0.2222222222222222 |
| Logs | -3.81 |
| Rotatable Bond Count | 5.0 |
| Logd | 1.935 |
| Compound Name | Diapocynin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 330.11 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 330.11 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 330.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.282583200000001 |
| Inchi | InChI=1S/C18H18O6/c1-9(19)11-5-13(17(21)15(7-11)23-3)14-6-12(10(2)20)8-16(24-4)18(14)22/h5-8,21-22H,1-4H3 |
| Smiles | CC(=O)C1=CC(=C(C(=C1)OC)O)C2=C(C(=CC(=C2)C(=O)C)OC)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Iris Tectorum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all