Eudebeiolide B
PubChem CID: 145959662
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| Compound Synonyms | Eudebeiolide B, CHEMBL4161226, HY-N11775, CS-0834631 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 544.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | (4aR,5R,8aR,9aR)-9a-hydroxy-3,5,8a-trimethyl-4,4a,5,9-tetrahydrobenzo[f][1]benzofuran-2,6-dione |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Is Pains | False |
| Molecular Formula | C15H18O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | NXRHZEONSPJBHI-RZYIQFRBSA-N |
| Fcsp3 | 0.6 |
| Rotatable Bond Count | 0.0 |
| Compound Name | Eudebeiolide B |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 262.121 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 262.121 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 262.3 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.2726909999999996 |
| Inchi | InChI=1S/C15H18O4/c1-8-10-6-11-9(2)13(17)19-15(11,18)7-14(10,3)5-4-12(8)16/h4-5,8,10,18H,6-7H2,1-3H3/t8-,10-,14+,15-/m1/s1 |
| Smiles | C[C@@H]1[C@H]2CC3=C(C(=O)O[C@@]3(C[C@@]2(C=CC1=O)C)O)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Plebeia (Plant) Rel Props:Source_db:cmaup_ingredients