Ugonin k
PubChem CID: 10365740
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | ugonin k, CHEMBL4088548, SCHEMBL19665236, 2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-7-methoxychromen-4-one |
|---|---|
| Topological Polar Surface Area | 96.2 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 757.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-6-[[(1R)-2,2-dimethyl-6-methylidenecyclohexyl]methyl]-5-hydroxy-7-methoxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 5.7 |
| Molecular Formula | C26H28O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ROCKAKPPZWGROR-KRWDZBQOSA-N |
| Fcsp3 | 0.3461538461538461 |
| Logs | -3.818 |
| Rotatable Bond Count | 4.0 |
| Logd | 3.545 |
| Compound Name | Ugonin k |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 436.189 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 436.189 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 436.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.7645248 |
| Inchi | InChI=1S/C26H28O6/c1-14-6-5-9-26(2,3)17(14)11-16-22(31-4)13-23-24(25(16)30)20(29)12-21(32-23)15-7-8-18(27)19(28)10-15/h7-8,10,12-13,17,27-28,30H,1,5-6,9,11H2,2-4H3/t17-/m0/s1 |
| Smiles | CC1(CCCC(=C)[C@@H]1CC2=C(C=C3C(=C2O)C(=O)C=C(O3)C4=CC(=C(C=C4)O)O)OC)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