Tetracenomycin X
PubChem CID: 129395
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| Compound Synonyms | Tetracenomycin X, 121245-07-6, 8-Methoxy-elloramycinone, NSC376682, methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate, C12380, AC1L2VJ6, Foeniculoside X, OCW, CHEMBL3609771, DTXSID90923734, 2-Naphthacenecarboxylic acid, 6,6a,7,10,10a,11-hexahydro-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-, methyl ester, (6aR-(6aalpha,7alpha,10aalpha))-, Methyl 6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-6,6a,7,10,10a,11-hexahydrotetracene-2-carboxylate |
|---|---|
| Topological Polar Surface Area | 166.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Inchi Key | QSPIPUXWSNFXCK-AGILITTLSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | 8-methoxy-elloramycinone, Tetracenomycin x |
| Heavy Atom Count | 35.0 |
| Compound Name | Tetracenomycin X |
| Description | Foeniculoside x is a member of the class of compounds known as tetracenequinones. Tetracenequinones are polyaromatic hydrocarbon derivatives containing a tetracyclic cycle made up of four linearly fused benzene rings, one of which bears two ketone groups at position 1 and 4. Foeniculoside x is practically insoluble (in water) and a very weakly acidic compound (based on its pKa). Foeniculoside x can be found in fennel, which makes foeniculoside x a potential biomarker for the consumption of this food product. |
| Exact Mass | 486.116 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 486.116 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 975.0 |
| Hydrogen Bond Acceptor Count | 11.0 |
| Molecular Weight | 486.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | methyl (6aR,7S,10aR)-6a,7,12-trihydroxy-3,8,10a-trimethoxy-1-methyl-6,10,11-trioxo-7H-tetracene-2-carboxylate |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C24H22O11/c1-9-15-10(7-12(32-2)16(9)22(30)34-4)6-11-17(18(15)26)21(29)24(35-5)14(25)8-13(33-3)20(28)23(24,31)19(11)27/h6-8,20,26,28,31H,1-5H3/t20-,23-,24-/m1/s1 |
| Smiles | CC1=C(C(=CC2=CC3=C(C(=C12)O)C(=O)[C@@]4(C(=O)C=C([C@H]([C@@]4(C3=O)O)O)OC)OC)OC)C(=O)OC |
| Xlogp | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C24H22O11 |
- 1. Outgoing r'ship
FOUND_INto/from Foeniculum Vulgare (Plant) Rel Props:Source_db:fooddb_chem_all