2,5-Dihydroxy-1-methoxyanthracene-9,10-dione
PubChem CID: 5318136
Connections displayed (default: 10).
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| Compound Synonyms | 34425-63-3, 2,5-DIHYDROXY-1-METHOXY-ANTHRAQUINONE, 5-Hydroxyalizarin 1-methyl ether, 2,5-dihydroxy-1-methoxyanthracene-9,10-dione, SCHEMBL19462002, HY-W667667, DA-60448, CS-0751246, D85133 |
|---|---|
| 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 | 2,5-dihydroxy-1-methoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | PIYPSEKICNYSKT-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -5.115 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.561 |
| Compound Name | 2,5-Dihydroxy-1-methoxyanthracene-9,10-dione |
| 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/c1-20-15-10(17)6-5-8-12(15)14(19)7-3-2-4-9(16)11(7)13(8)18/h2-6,16-17H,1H3 |
| Smiles | COC1=C(C=CC2=C1C(=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 Damnacanthus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Euphorbia Ingens (Plant) Rel Props:Source_db:cmaup_ingredients