Tetracenomycin F1
PubChem CID: 127693
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| Compound Synonyms | Tetracenomycin F1, Tcm F1, 149791-45-7, 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6H-tetracene-2-carboxylic acid, 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6,11-dihydrotetracene-2-carboxylic acid, Theasaponin F1, Tetracenomycin-F1, SCHEMBL5142828, CHEBI:32205, DTXSID90164382, Q27114823, 2-Naphthacenecarboxylic acid, 6,11-dihydro-3,8,10,12-tetrahydroxy-1-methyl-11-oxo- |
|---|---|
| Topological Polar Surface Area | 135.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Inchi Key | BJSNGVYBQJIGRT-UHFFFAOYSA-N |
| Rotatable Bond Count | 1.0 |
| Synonyms | (+)-Theasaponin F1, Hypericin, Tetracenomycin F1 |
| Heavy Atom Count | 27.0 |
| Compound Name | Tetracenomycin F1 |
| Description | Theasaponin f1, also known as tcm f1, is a member of the class of compounds known as naphthacenes. Naphthacenes are compounds containing a naphthacene moiety, which is a polyaromatic hydrocarbon made of four linearly fused benzene rings. Theasaponin f1 is practically insoluble (in water) and a moderately acidic compound (based on its pKa). Theasaponin f1 can be found in tea, which makes theasaponin f1 a potential biomarker for the consumption of this food product. |
| Exact Mass | 366.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 366.074 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 621.0 |
| Hydrogen Bond Acceptor Count | 7.0 |
| Molecular Weight | 366.3 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3,8,10,12-tetrahydroxy-1-methyl-11-oxo-6H-tetracene-2-carboxylic acid |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C20H14O7/c1-7-14-10(5-12(22)15(7)20(26)27)3-8-2-9-4-11(21)6-13(23)16(9)19(25)17(8)18(14)24/h3-6,21-24H,2H2,1H3,(H,26,27) |
| Smiles | CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)C4=C(C3)C=C(C=C4O)O)O)C(=O)O |
| Xlogp | 4.2 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C20H14O7 |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all