Tricetinidin
PubChem CID: 11199650
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| Compound Synonyms | Tricetinidin, 5-(5,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol, Tricetanidin, 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium(1+), 9CI, SCHEMBL6131745, CHEBI:179145, LMPK12010440 |
|---|---|
| Topological Polar Surface Area | 102.0 |
| Hydrogen Bond Donor Count | 5.0 |
| Heavy Atom Count | 21.0 |
| Description | Isolated from black tea (Thea sinensis). Tricetanidin is found in tea. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 352.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-(5,7-dihydroxychromenylium-2-yl)benzene-1,2,3-triol |
| Nih Violation | True |
| Class | Flavonoids |
| Superclass | Phenylpropanoids and polyketides |
| Is Pains | True |
| Subclass | Hydroxyflavonoids |
| Molecular Formula | C15H11O6+ |
| Inchi Key | CMPNIWQMRYYTMK-UHFFFAOYSA-O |
| Rotatable Bond Count | 1.0 |
| Synonyms | 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium(1+), 9CI, Tricetanidin, Tricetinidin, Tricetinidin chloride, 5,7-Dihydroxy-2-(3,4,5-trihydroxyphenyl)-1-benzopyrylium(1+), 9ci |
| Compound Name | Tricetinidin |
| Kingdom | Organic compounds |
| Exact Mass | 287.056 |
| Formal Charge | 1.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 287.056 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 287.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H10O6/c16-8-5-10(17)9-1-2-13(21-14(9)6-8)7-3-11(18)15(20)12(19)4-7/h1-6H,(H4-,16,17,18,19,20)/p+1 |
| Smiles | C1=CC(=[O+]C2=CC(=CC(=C21)O)O)C3=CC(=C(C(=C3)O)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | 7-hydroxyflavonoids |
- 1. Outgoing r'ship
FOUND_INto/from Camellia Sinensis (Plant) Rel Props:Source_db:fooddb_chem_all