1,3,8-Trihydroxy-6-propyl-9,10-anthraquinone
PubChem CID: 23265983
Connections displayed (default: 10).
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| Compound Synonyms | 1,3,8-trihydroxy-6-propyl-9,10-anthraquinone |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 462.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,8-trihydroxy-6-propylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.7 |
| Molecular Formula | C17H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XJZIVQGVSOVEOC-UHFFFAOYSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -3.407 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.654 |
| Compound Name | 1,3,8-Trihydroxy-6-propyl-9,10-anthraquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 298.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.285759163636364 |
| Inchi | InChI=1S/C17H14O5/c1-2-3-8-4-10-14(12(19)5-8)17(22)15-11(16(10)21)6-9(18)7-13(15)20/h4-7,18-20H,2-3H2,1H3 |
| Smiles | CCCC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Fraxinus Ornus (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Gypsophila Pacifica (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Physochlaina Infundibularis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Radermachera Sinica (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Rhododendron Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients