eurycomalide A
PubChem CID: 46878939
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | eurycomalide A, CHEMBL1079671 |
|---|---|
| Topological Polar Surface Area | 104.0 |
| Hydrogen Bond Donor Count | 3.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 685.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 10.0 |
| Iupac Name | (1S,2R,6R,8S,9S,10R,11R,12R,13R,16R)-8,9,12-trihydroxy-2,6,10,16-tetramethyl-14-oxatetracyclo[11.2.1.02,11.05,10]hexadec-4-ene-3,15-dione |
| Prediction Hob | 1.0 |
| Xlogp | 0.2 |
| Molecular Formula | C19H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ROIUBSDBUACGGP-HNPWBXESSA-N |
| Fcsp3 | 0.7894736842105263 |
| Logs | -3.363 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.686 |
| Compound Name | eurycomalide A |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 10.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1448482000000006 |
| Inchi | InChI=1S/C19H26O6/c1-7-5-10(20)16(23)18(3)9(7)6-11(21)19(4)12-8(2)14(25-17(12)24)13(22)15(18)19/h6-8,10,12-16,20,22-23H,5H2,1-4H3/t7-,8-,10+,12-,13+,14-,15-,16-,18+,19+/m1/s1 |
| Smiles | C[C@@H]1C[C@@H]([C@H]([C@]2(C1=CC(=O)[C@@]3([C@@H]2[C@H]([C@H]4[C@@H]([C@@H]3C(=O)O4)C)O)C)C)O)O |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eurycoma Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Eurycoma Sp (Plant) Rel Props:Source_db:cmaup_ingredients