Flaviolin
PubChem CID: 160478
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Flaviolin, 479-05-0, 4,5,7-trihydroxynaphthalene-1,2-dione, 2,5,7-TRIHYDROXYNAPHTHOQUINONE, CHEBI:42646, TH7ZC8J7OE, 1,4-Naphthalenedione, 2,5,7-trihydroxy-, 2,5,7-Trihydroxy-1,4-naphthalenedione, 2,5,7-trihydroxynaphthalene-1,4-dione, 2,5,7-TRIHYDROXY-1,4-DIHYDRONAPHTHALENE-1,4-DIONE, UNII-TH7ZC8J7OE, SCHEMBL703160, SCHEMBL2315695, CHEMBL1232770, DTXSID60963960, BDBM50487951, 2,5,7-trihydroxy-1,4-naphthoquinone, DB02521, NS00070622, C18012, Q27093505 |
|---|---|
| Topological Polar Surface Area | 94.8 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,5,7-trihydroxynaphthalene-1,2-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.7 |
| Molecular Formula | C10H6O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XNPCAGMCQDGQKK-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -3.053 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.011 |
| Compound Name | Flaviolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 206.022 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 206.022 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 206.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.8488486 |
| Inchi | InChI=1S/C10H6O5/c11-4-1-5-9(6(12)2-4)7(13)3-8(14)10(5)15/h1-3,11-13H |
| Smiles | C1=C(C=C(C2=C1C(=O)C(=O)C=C2O)O)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Annua (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Artemisia Apiacea (Plant) Rel Props:Source_db:cmaup_ingredients