2-(trans-1,4-Dihydroxy-cyclohexyl)-5,7-dihydroxy-chromone
PubChem CID: 21721893
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| Compound Synonyms | 2-(trans-1,4-dihydroxy-cyclohexyl)-5,7-dihydroxy-chromone, 1270013-29-0, HY-N10692, DA-59997, CS-0634298, G88916 |
|---|---|
| Topological Polar Surface Area | 107.0 |
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 451.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-(1,4-dihydroxycyclohexyl)-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C15H16O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | GDNDWFIQOXRVDM-UHFFFAOYSA-N |
| Fcsp3 | 0.4 |
| Logs | -2.454 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.697 |
| Compound Name | 2-(trans-1,4-Dihydroxy-cyclohexyl)-5,7-dihydroxy-chromone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.095 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.095 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 292.28 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0393603523809523 |
| Inchi | InChI=1S/C15H16O6/c16-8-1-3-15(20,4-2-8)13-7-11(19)14-10(18)5-9(17)6-12(14)21-13/h5-8,16-18,20H,1-4H2 |
| Smiles | C1CC(CCC1O)(C2=CC(=O)C3=C(C=C(C=C3O2)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Daphne Oleoides (Plant) Rel Props:Source_db:cmaup_ingredients