5,6-Epxoyphysalin B
PubChem CID: 433531
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| Compound Synonyms | Physalin F, 5.beta.,6.beta.-epoxyphysalin B, 5,6-Epxoyphysalin B, PHYSALIN B 5,6-EPOXIDE, NSC332595, NSC661115, EPOXYPHYSALIN,6A-, 5,6-Epoxide of Physalin B, CHEMBL1979392, 5.alpha.,6.alpha.-Epoxyphysalin B, NSC336815, NSC-332595, NSC-336815, CID 44577488 |
|---|---|
| Topological Polar Surface Area | 138.0 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 38.0 |
| Description | Constituent of the famine food Physalis angulata (cutleaf ground cherry). Physalin J is found in herbs and spices and fruits. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 1340.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone |
| Prediction Hob | 0.0 |
| Class | Steroids and steroid derivatives |
| Xlogp | 0.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Physalins and derivatives |
| Molecular Formula | C28H30O10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | VSLWNSSUMFSGFF-UHFFFAOYSA-N |
| Fcsp3 | 0.7857142857142857 |
| Logs | -4.175 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 2.142 |
| Synonyms | Physalin B 5,6-epoxide, Physalin J, 5,6-Epxoyphysalin b, 5beta,6beta-Epoxyphysalin b, Physalin F |
| Compound Name | 5,6-Epxoyphysalin B |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 526.184 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 526.184 |
| Hydrogen Bond Acceptor Count | 10.0 |
| Molecular Weight | 526.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 13.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic heteropolycyclic compounds |
| Esol | -3.199035600000002 |
| Inchi | InChI=1S/C28H30O10/c1-22-10-17-24(3)28-18(22)19(30)27(38-28,34-11-14(22)20(31)35-17)13-9-16-26(36-16)7-4-5-15(29)23(26,2)12(13)6-8-25(28,33)21(32)37-24/h4-5,12-14,16-18,33H,6-11H2,1-3H3 |
| Smiles | CC12CC3C4(C56C1C(=O)C(O5)(C7CC8C9(O8)CC=CC(=O)C9(C7CCC6(C(=O)O4)O)C)OCC2C(=O)O3)C |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Physalins and derivatives |
- 1. Outgoing r'ship
FOUND_INto/from Physalis Alkekengi (Plant) Rel Props:Source_db:cmaup_ingredients