Rubianthraquinone
PubChem CID: 11044279
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Rubianthraquinone, 644967-44-2, 3,6-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione, CHEBI:69531, SCHEMBL16226647, HY-N1336, AKOS032961994, DA-57567, CS-0016744, Q27137871 |
|---|---|
| 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 | 3,6-dihydroxy-1-methoxy-2-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H12O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FDRWSVGPMGRFGX-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -4.692 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.604 |
| Compound Name | Rubianthraquinone |
| 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 | -3.5280125428571427 |
| Inchi | InChI=1S/C16H12O5/c1-7-12(18)6-11-13(16(7)21-2)15(20)9-4-3-8(17)5-10(9)14(11)19/h3-6,17-18H,1-2H3 |
| Smiles | CC1=C(C=C2C(=C1OC)C(=O)C3=C(C2=O)C=C(C=C3)O)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