1-Hydroxy-2,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione
PubChem CID: 118253906
Connections displayed (default: 10).
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| Compound Synonyms | SCHEMBL16932396 |
|---|---|
| Topological Polar Surface Area | 91.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 550.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-hydroxy-2,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione |
| Prediction Hob | 1.0 |
| Xlogp | 3.3 |
| Molecular Formula | C19H18O7 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LQADQZULWADSGL-UHFFFAOYSA-N |
| Fcsp3 | 0.2631578947368421 |
| Logs | -4.972 |
| Rotatable Bond Count | 4.0 |
| Logd | 2.532 |
| Compound Name | 1-Hydroxy-2,6,7,8-tetramethoxy-3-methylanthracene-9,10-dione |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 358.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 358.105 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 358.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.224583661538462 |
| Inchi | InChI=1S/C19H18O7/c1-8-6-9-12(16(22)17(8)24-3)15(21)13-10(14(9)20)7-11(23-2)18(25-4)19(13)26-5/h6-7,22H,1-5H3 |
| Smiles | CC1=CC2=C(C(=C1OC)O)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Endiandra Xanthocarpa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Helichrysum Subulifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Hemsleya Graciliflora (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Senna Lindheimeriana (Plant) Rel Props:Source_db:cmaup_ingredients