4,11,13,15-Tetrahydroridentin B
PubChem CID: 15540432
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| Compound Synonyms | 4,11,13,15-Tetrahydroridentin B, CHEBI:169733, DTXSID301114572, 75991-58-1, 4alpha(15), 11beta(13)-Tetrahydroridentin B, (3S,3aS,5aR,6R,8S,9R,9aS,9bS)-6,8-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzouran-2-one, (3S,3aS,5aR,6R,8S,9R,9aS,9bS)-Decahydro-6,8-dihydroxy-3,5a,9-trimethylnaphtho[1,2-b]furan-2(3H)-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | Constituent of Taraxacum officinale (dandelion). 4,11,13,15-Tetrahydroridentin B is found in many foods, some of which are alcoholic beverages, beverages, coffee and coffee products, and dandelion. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 396.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | (3S,3aS,5aR,6R,8S,9R,9aS,9bS)-6,8-dihydroxy-3,5a,9-trimethyl-3,3a,4,5,6,7,8,9,9a,9b-decahydrobenzo[g][1]benzofuran-2-one |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 1.8 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Terpene lactones |
| Molecular Formula | C15H24O4 |
| Inchi Key | GAPZIAIPNAGPQZ-UIUPBXLSSA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | 4,11,13,15-Tetrahydroridentin B, 4alpha(15), 11beta(13)-Tetrahydroridentin B, 4alpha(15), 11beta(13)-Tetrahydroridentin b |
| Compound Name | 4,11,13,15-Tetrahydroridentin B |
| Kingdom | Organic compounds |
| Exact Mass | 268.167 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 268.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 268.35 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Inchi | InChI=1S/C15H24O4/c1-7-9-4-5-15(3)11(17)6-10(16)8(2)12(15)13(9)19-14(7)18/h7-13,16-17H,4-6H2,1-3H3/t7-,8-,9-,10-,11+,12+,13-,15-/m0/s1 |
| Smiles | C[C@H]1[C@H](C[C@H]([C@]2([C@H]1[C@@H]3[C@@H](CC2)[C@@H](C(=O)O3)C)C)O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Eudesmanolides, secoeudesmanolides, and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Taraxacum Officinale (Plant) Rel Props:Source_db:fooddb_chem_all