Jatamanin E
PubChem CID: 46886739
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| Compound Synonyms | JATAMANIN E, CHEMBL1096298 |
|---|---|
| Topological Polar Surface Area | 76.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 6.0 |
| Iupac Name | (1R,3S,4S,6R,7S,10S)-4-hydroxy-10-(hydroxymethyl)-3-methyl-2,9-dioxatricyclo[4.3.1.03,7]decan-8-one |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | -0.8 |
| Is Pains | False |
| Molecular Formula | C10H14O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ATFJUGCMEQBNLH-DMJNSNJUSA-N |
| Fcsp3 | 0.9 |
| Rotatable Bond Count | 1.0 |
| Compound Name | Jatamanin E |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 214.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 214.084 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 214.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 6.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.6233453999999998 |
| Inchi | InChI=1S/C10H14O5/c1-10-6(12)2-4-5(3-11)9(15-10)14-8(13)7(4)10/h4-7,9,11-12H,2-3H2,1H3/t4-,5-,6+,7-,9+,10-/m1/s1 |
| Smiles | C[C@@]12[C@H](C[C@H]3[C@@H]1C(=O)O[C@H]([C@@H]3CO)O2)O |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients