1,3,8-trihydroxy-6-[(1R)-1-hydroxypropyl]anthracene-9,10-dione
PubChem CID: 162883028
Connections displayed (default: 10).
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| Topological Polar Surface Area | 115.0 |
|---|---|
| Hydrogen Bond Donor Count | 4.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 491.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1,3,8-trihydroxy-6-[(1R)-1-hydroxypropyl]anthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C17H14O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FFCVGPRCQWKWLA-LLVKDONJSA-N |
| Fcsp3 | 0.1764705882352941 |
| Logs | -4.021 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.082 |
| Compound Name | 1,3,8-trihydroxy-6-[(1R)-1-hydroxypropyl]anthracene-9,10-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.079 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 314.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.5547035565217393 |
| Inchi | InChI=1S/C17H14O6/c1-2-11(19)7-3-9-14(12(20)4-7)17(23)15-10(16(9)22)5-8(18)6-13(15)21/h3-6,11,18-21H,2H2,1H3/t11-/m1/s1 |
| Smiles | CC[C@H](C1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Physochlaina Infundibularis (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Rhododendron Fauriei (Plant) Rel Props:Source_db:cmaup_ingredients