Ugonin R
PubChem CID: 45269028
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| Compound Synonyms | ugonin R, CHEMBL561372, SCHEMBL19665232, 1173928-67-0 |
|---|---|
| Topological Polar Surface Area | 127.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 32.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 749.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Uniprot Id | n.a. |
| Iupac Name | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[[(1S)-2-hydroxy-2,6,6-trimethylcyclohexyl]methyl]chromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 4.6 |
| Molecular Formula | C25H28O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | IEDRNKKFHHTLRT-BWDMCYIDSA-N |
| Fcsp3 | 0.4 |
| Logs | -3.565 |
| Rotatable Bond Count | 3.0 |
| Logd | 2.854 |
| Compound Name | Ugonin R |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 440.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 440.184 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 440.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -5.1496504000000005 |
| Inchi | InChI=1S/C25H28O7/c1-24(2)7-4-8-25(3,31)21(24)10-14-16(27)11-20-22(23(14)30)18(29)12-19(32-20)13-5-6-15(26)17(28)9-13/h5-6,9,11-12,21,26-28,30-31H,4,7-8,10H2,1-3H3/t21-,25?/m0/s1 |
| Smiles | CC1(CCCC([C@H]1CC2=C(C3=C(C=C2O)OC(=CC3=O)C4=CC(=C(C=C4)O)O)O)(C)O)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;npass_chem_all