Fallacinal
PubChem CID: 15559229
Connections displayed (default: 10).
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| Compound Synonyms | Fallacinal, Phallacinal, 4517-57-1, DTXSID10196408, 4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carbaldehyde, 2-Anthraldehyde, 9,10-dihydro-4,5-dihydroxy-7-methoxy-9,10-dioxo-, 2-Anthracenecarboxaldehyde, 9,10-dihydro-4,5-dihydroxy-7-methoxy-9,10-dioxo-, 1,8-Dihydroxy-6-methoxy-9,10-dioxo-9,10-dihydroanthracene-3-carbaldehyde, SCHEMBL23198965, DTXCID80118899, CHEBI:144151 |
|---|---|
| Topological Polar Surface Area | 101.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 489.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5-dihydroxy-7-methoxy-9,10-dioxoanthracene-2-carbaldehyde |
| Prediction Hob | 1.0 |
| Xlogp | 2.1 |
| Molecular Formula | C16H10O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | MCPKJGRRWINKOH-UHFFFAOYSA-N |
| Fcsp3 | 0.0625 |
| Logs | -6.308 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.531 |
| Compound Name | Fallacinal |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 298.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 298.048 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 298.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.308986363636364 |
| Inchi | InChI=1S/C16H10O6/c1-22-8-4-10-14(12(19)5-8)16(21)13-9(15(10)20)2-7(6-17)3-11(13)18/h2-6,18-19H,1H3 |
| Smiles | COC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)C=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Andrographis Neesiana (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Coreopsis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Magnolia Ovata (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Phlogacanthus Curviflorus (Plant) Rel Props:Source_db:cmaup_ingredients