(3R)-3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one
PubChem CID: 11346353
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| Topological Polar Surface Area | 98.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 411.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (3R)-3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C15H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FELQSDLZFDTZJN-OAHLLOKOSA-N |
| Fcsp3 | 0.2666666666666666 |
| Logs | -3.028 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.081 |
| Compound Name | (3R)-3,6,8,9-tetrahydroxy-3-methyl-2,4-dihydroanthracen-1-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 274.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 274.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 274.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1515864 |
| Inchi | InChI=1S/C15H14O5/c1-15(20)5-8-2-7-3-9(16)4-10(17)12(7)14(19)13(8)11(18)6-15/h2-4,16-17,19-20H,5-6H2,1H3/t15-/m1/s1 |
| Smiles | C[C@]1(CC2=CC3=CC(=CC(=C3C(=C2C(=O)C1)O)O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hypericum Chinense (Plant) Rel Props:Source_db:cmaup_ingredients