1,8-Dihydroxy-3,7-dimethoxy-2-methyl-anthracene-9,10-dione
PubChem CID: 71594511
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| Compound Synonyms | 1,8-dihydroxy-2-methy-3,7-dimethoxyanthraquinone, 1,8-dihydroxy-3,7-dimethoxy-2-methyl-anthracene-9,10-dione |
|---|---|
| Topological Polar Surface Area | 93.1 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 491.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,8-dihydroxy-3,7-dimethoxy-2-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LWWWNDVDXAKGAI-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.525 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.608 |
| Compound Name | 1,8-Dihydroxy-3,7-dimethoxy-2-methyl-anthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.94530355652174 |
| Inchi | InChI=1S/C17H14O6/c1-7-11(23-3)6-9-13(14(7)18)17(21)12-8(15(9)19)4-5-10(22-2)16(12)20/h4-6,18,20H,1-3H3 |
| Smiles | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=CC(=C3O)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rhamnus Nakaharai (Plant) Rel Props:Source_db:cmaup_ingredients