1,3,6-Trihydroxy-2,5-dimethoxy-10-methylacridin-9-one
PubChem CID: 85583910
Connections displayed (default: 10).
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| Topological Polar Surface Area | 99.5 |
|---|---|
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 460.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,6-trihydroxy-2,5-dimethoxy-10-methylacridin-9-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.5 |
| Molecular Formula | C16H15NO6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XTKDYPFKEUCACS-UHFFFAOYSA-N |
| Fcsp3 | 0.1875 |
| Logs | -3.888 |
| Rotatable Bond Count | 2.0 |
| Logd | 1.79 |
| Compound Name | 1,3,6-Trihydroxy-2,5-dimethoxy-10-methylacridin-9-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 317.09 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 317.09 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 317.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.3810761826086955 |
| Inchi | InChI=1S/C16H15NO6/c1-17-8-6-10(19)16(23-3)14(21)11(8)13(20)7-4-5-9(18)15(22-2)12(7)17/h4-6,18-19,21H,1-3H3 |
| Smiles | CN1C2=CC(=C(C(=C2C(=O)C3=C1C(=C(C=C3)O)OC)O)OC)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anagallis Arvensis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Uncaria Perrottetii (Plant) Rel Props:Source_db:cmaup_ingredients