2-[(1S,6R)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]-5,7-dihydroxychromen-4-one
PubChem CID: 162933489
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 124.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 566.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | 2-[(1S,6R)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]-5,7-dihydroxychromen-4-one |
| Prediction Hob | 1.0 |
| Xlogp | -0.2 |
| Molecular Formula | C15H12O7 |
| Prediction Swissadme | 0.0 |
| Inchi Key | DEEPPBLYKYFFMO-DOMZBBRYSA-N |
| Fcsp3 | 0.2 |
| Logs | -2.761 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.109 |
| Compound Name | 2-[(1S,6R)-1,6-dihydroxy-4-oxocyclohex-2-en-1-yl]-5,7-dihydroxychromen-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 304.058 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 304.058 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 304.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.354138436363636 |
| Inchi | InChI=1S/C15H12O7/c16-7-1-2-15(21,12(20)5-7)13-6-10(19)14-9(18)3-8(17)4-11(14)22-13/h1-4,6,12,17-18,20-21H,5H2/t12-,15+/m1/s1 |
| Smiles | C1[C@H]([C@@](C=CC1=O)(C2=CC(=O)C3=C(C=C(C=C3O2)O)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