1,3,5-Trihydroxy-9,10-dioxoanthracene-2-carbaldehyde
PubChem CID: 5320212
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| Compound Synonyms | SCHEMBL16226906 |
|---|---|
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 475.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1,3,5-trihydroxy-9,10-dioxoanthracene-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C15H8O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZLTPIJXBXKYZKU-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -0.292 |
| Rotatable Bond Count | 1.0 |
| Logd | -0.255 |
| Compound Name | 1,3,5-Trihydroxy-9,10-dioxoanthracene-2-carbaldehyde |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 284.032 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 284.032 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 284.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.4521397428571428 |
| Inchi | InChI=1S/C15H8O6/c16-5-8-10(18)4-7-12(15(8)21)13(19)6-2-1-3-9(17)11(6)14(7)20/h1-5,17-18,21H |
| Smiles | C1=CC2=C(C(=C1)O)C(=O)C3=CC(=C(C(=C3C2=O)O)C=O)O |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Corydalis Yanhusuo (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Damnacanthus Indicus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Euphorbia Ingens (Plant) Rel Props:Source_db:cmaup_ingredients