1,6-Dihydroxy-2-methoxyanthraquinone
PubChem CID: 132521
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| Compound Synonyms | 1,6-Dihydroxy-2-methoxyanthraquinone, 142878-32-8, 1,6-Dhma, 1,6-dihydroxy-2-methoxyanthracene-9,10-dione, DTXSID70162205, SCHEMBL3276344, DTXCID0084696 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 420.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,6-dihydroxy-2-methoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | HULRBUQQNBFVIW-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.323 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.542 |
| Compound Name | 1,6-Dihydroxy-2-methoxyanthraquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 270.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.053 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 270.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.581888 |
| Inchi | InChI=1S/C15H10O5/c1-20-11-5-4-9-12(15(11)19)14(18)8-3-2-7(16)6-10(8)13(9)17/h2-6,16,19H,1H3 |
| Smiles | COC1=C(C2=C(C=C1)C(=O)C3=C(C2=O)C=CC(=C3)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Euphorbia Ingens (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gynochthodes Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients