Eurycolactone D
PubChem CID: 56842815
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| Compound Synonyms | Eurycolactone D, 441334-12-9, 2,5-Methano-2H-indeno(4,5-d)oxepin-4,6,10(1H)-trione, 5,5a,8,9,10a,10b-hexahydro-1-hydroxy-5a,8,10a,11-tetramethyl-, (1R,2R,5S,5aR,8R,10aR,10bS,11R)-rel-(-)-, DTXSID10963172, 1-Hydroxy-5a,8,10a,11-tetramethyl-5,5a,8,9,10a,10b-hexahydro-2H-2,5-methanoindeno[4,5-d]oxepine-4,6,10(1H)-trione |
|---|---|
| Topological Polar Surface Area | 80.7 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 679.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 7.0 |
| Iupac Name | (1S,2R,6R,9R,10S,11R,12R)-11-hydroxy-2,6,9,15-tetramethyl-13-oxatetracyclo[10.2.1.02,10.05,9]pentadec-4-ene-3,8,14-trione |
| Prediction Hob | 1.0 |
| Xlogp | 0.5 |
| Molecular Formula | C18H22O5 |
| Prediction Swissadme | 0.0 |
| Inchi Key | QCEYUNMTQLCPRK-PDLWFFGYSA-N |
| Fcsp3 | 0.7222222222222222 |
| Logs | -3.93 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.825 |
| Compound Name | Eurycolactone D |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 318.147 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 318.147 |
| Hydrogen Bond Acceptor Count | 5.0 |
| Molecular Weight | 318.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.1477878 |
| Inchi | InChI=1S/C18H22O5/c1-7-5-10(19)17(3)9(7)6-11(20)18(4)12-8(2)14(23-16(12)22)13(21)15(17)18/h6-8,12-15,21H,5H2,1-4H3/t7-,8?,12-,13+,14-,15-,17-,18+/m1/s1 |
| Smiles | C[C@@H]1CC(=O)[C@]2(C1=CC(=O)[C@@]3([C@@H]2[C@H]([C@H]4C([C@@H]3C(=O)O4)C)O)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Eurycoma Sp (Plant) Rel Props:Source_db:cmaup_ingredients