1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone
PubChem CID: 56600270
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| Compound Synonyms | 1,3-dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone, CHEBI:69512, DTXSID701212158, Q27137851, 1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthracenedione, 1,3-dihydroxy-6-methoxy-2-methylanthracene-9,10-dione, 1338588-98-9 |
|---|---|
| Topological Polar Surface Area | 83.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 448.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3-dihydroxy-6-methoxy-2-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.0 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MSRATKAMEVGQNE-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.458 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.636 |
| Compound Name | 1,3-Dihydroxy-6-methoxy-2-methyl-9,10-anthraquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.068 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 284.26 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.8745125428571425 |
| Inchi | InChI=1S/C16H12O5/c1-7-12(17)6-11-13(14(7)18)16(20)9-4-3-8(21-2)5-10(9)15(11)19/h3-6,17-18H,1-2H3 |
| Smiles | CC1=C(C=C2C(=C1O)C(=O)C3=C(C2=O)C=C(C=C3)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Rubia Yunnanensis (Plant) Rel Props:Source_db:cmaup_ingredients