1,3,6-Trihydroxy-2-Methoxyanthraquinone
PubChem CID: 11659239
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| Compound Synonyms | 1,3,6-trihydroxy-2-methoxyanthraquinone, 1,3,6-trihydroxy-2-methoxyanthracene-9,10-dione, CHEMBL251908, 2-methoxy-1,3,6-trihydroxyanthraquinone |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 449.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P47199 |
| Iupac Name | 1,3,6-trihydroxy-2-methoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.3 |
| Molecular Formula | C15H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XUHCTZUMZGBPRV-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.029 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.37 |
| Compound Name | 1,3,6-Trihydroxy-2-Methoxyanthraquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 286.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 286.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 286.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.433138942857143 |
| Inchi | InChI=1S/C15H10O6/c1-21-15-10(17)5-9-11(14(15)20)13(19)7-3-2-6(16)4-8(7)12(9)18/h2-5,16-17,20H,1H3 |
| Smiles | COC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Morinda Citrifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all