1,3-Dihydroxy-2-methoxyanthracene-9,10-dione
PubChem CID: 146101
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 10383-63-8, 1,3-dihydroxy-2-methoxyanthracene-9,10-dione, Anthraquinone, 1,3-dihydroxy-2-methoxy-, 1,3-dihydroxy-2-methoxy-anthraquinone, Anthragallol-2-methyl ether, 1,3-Dihydroxy-2-methoxyanthraquinone, anthragallol 2-methyl ether, 9,10-Anthracenedione,1,3-dihydroxy-2-methoxy-, CHEMBL227588, SCHEMBL18601895, DTXSID70146080, HY-W663232, DA-70888, CS-0746887, D85131 |
|---|---|
| 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;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dihydroxy-2-methoxyanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H10O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JHNIAAKMKICMPB-UHFFFAOYSA-N |
| Fcsp3 | 0.0666666666666666 |
| Logs | -4.005 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.48 |
| Compound Name | 1,3-Dihydroxy-2-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(16)6-9-11(14(15)19)13(18)8-5-3-2-4-7(8)12(9)17/h2-6,16,19H,1H3 |
| Smiles | COC1=C(C=C2C(=C1O)C(=O)C3=CC=CC=C3C2=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