Coronopolin
PubChem CID: 457959
Connections displayed (default: 10).
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| Compound Synonyms | Coronopolin, NSC85242, Azuleno[4,5-b]furan-2,9-dione, decahydro-6a-hydroxy-6,9a-dimethyl-3-methylene-, [3aS-(3a.alpha.,6.beta.,6a.alpha.,9a.beta.,9b.alpha.)]-, DTXSID20874700, 10-.alpha.-H-Ambros-11(13)-en-12-oic acid, 1,6-.beta.-dihydroxy-4-oxo-, .gamma.-lactone, AKOS021610565, NS00094662, AZULENO[4,5-B]FURAN-2,9-DIONE, DECAHYDRO-6A-HYDR, 6a-Hydroxy-6,9a-dimethyl-3-methylenedecahydroazuleno[4,5-b]furan-2,9-dione, 6a-Hydroxy-6,9a-dimethyl-3-methylenedecahydroazuleno[4,5-b]furan-2,9-dione #, 6A-HYDROXY-6,9A-DIMETHYL-3-METHYLIDENE-DODECAHYDROAZULENO[4,5-B]FURAN-2,9-DIONE, 6a-hydroxy-6,9a-dimethyl-3-methylene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 483.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 6a-hydroxy-6,9a-dimethyl-3-methylidene-4,5,6,7,8,9b-hexahydro-3aH-azuleno[8,7-b]furan-2,9-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.3 |
| Molecular Formula | C15H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | GEUJJEYGSRWXPC-UHFFFAOYSA-N |
| Fcsp3 | 0.7333333333333333 |
| Logs | -2.142 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.993 |
| Compound Name | Coronopolin |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 264.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 5.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.0016901999999996 |
| Inchi | InChI=1S/C15H20O4/c1-8-4-5-10-9(2)13(17)19-12(10)14(3)11(16)6-7-15(8,14)18/h8,10,12,18H,2,4-7H2,1,3H3 |
| Smiles | CC1CCC2C(C3(C1(CCC3=O)O)C)OC(=O)C2=C |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hedychium Coronarium (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Parthenium Hysterophorus (Plant) Rel Props:Source_db:cmaup_ingredients