DELTA3,5-Deoxytigogenin
PubChem CID: 131751534
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| Compound Synonyms | D3,5-Deoxytigogenin, DELTA3,5-Deoxytigogenin |
|---|---|
| Topological Polar Surface Area | 18.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 29.0 |
| Description | Isolated from Balanites aegyptiaca (soapberry tree fruits). delta3,5-Deoxytigogenin is found in fruits and fenugreek. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 754.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (4S,5'R,6R,7S,8R,9S,13R)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosa-16,18-diene-6,2'-oxane] |
| Nih Violation | False |
| Class | Prenol lipids |
| Xlogp | 6.9 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Triterpenoids |
| Molecular Formula | C27H40O2 |
| Inchi Key | YEQBGJNMHDZXRG-UBRUKMDESA-N |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Synonyms | D3,5-Deoxytigogenin, Diosgenin,dehydro, Δ3,5-deoxytigogenin |
| Compound Name | DELTA3,5-Deoxytigogenin |
| Kingdom | Organic compounds |
| Exact Mass | 396.303 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 396.303 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 396.6 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Inchi | InChI=1S/C27H40O2/c1-17-10-14-27(28-16-17)18(2)24-23(29-27)15-22-20-9-8-19-7-5-6-12-25(19,3)21(20)11-13-26(22,24)4/h5,7-8,17-18,20-24H,6,9-16H2,1-4H3/t17-,18+,20?,21?,22?,23+,24+,25+,26+,27-/m1/s1 |
| Smiles | C[C@@H]1CC[C@@]2([C@H]([C@H]3[C@@H](O2)CC4[C@@]3(CCC5C4CC=C6[C@@]5(CCC=C6)C)C)C)OC1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Triterpenoids |
- 1. Outgoing r'ship
FOUND_INto/from Trigonella Foenum-Graecum (Plant) Rel Props:Source_db:fooddb_chem_all