Ugonin G
PubChem CID: 5324506
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| Compound Synonyms | Ugonin G, 3,5,7,4'-Tetrahydroxy-6-(2,6,6-trimethyl-2-cyclohexenylmethyl)flavone, 3,5,7-Trihydroxy-2-(4-hydroxy-phenyl)-6-(2,6,6-trimethyl-cyclohex-2-enylmethyl)-chromen-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-{[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl}-4H-chromen-4-one, 4H-1-benzopyran-4-one, 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[[(1R)-2,6,6-trimethyl-2-cyclohexen-1-yl]methyl]-, InChI=1/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3H |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 31.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 760.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-6-[[(1R)-2,6,6-trimethylcyclohex-2-en-1-yl]methyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.4 |
| Molecular Formula | C25H26O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZDMLVDJENNJFML-KRWDZBQOSA-N |
| Fcsp3 | 0.32 |
| Logs | -3.339 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.407 |
| Compound Name | Ugonin G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 422.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 422.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 422.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.660992883870968 |
| Inchi | InChI=1S/C25H26O6/c1-13-5-4-10-25(2,3)17(13)11-16-18(27)12-19-20(21(16)28)22(29)23(30)24(31-19)14-6-8-15(26)9-7-14/h5-9,12,17,26-28,30H,4,10-11H2,1-3H3/t17-/m0/s1 |
| Smiles | CC1=CCCC([C@H]1CC2=C(C3=C(C=C2O)OC(=C(C3=O)O)C4=CC=C(C=C4)O)O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Helminthostachys Zeylanica (Plant) Rel Props:Source_db:cmaup_ingredients