(+)-Strigone
PubChem CID: 23256101
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (+)-Strigone, Strigone, Strigone [MI], 6U3UTC3UON, UNII-6U3UTC3UON, 151716-20-0, 2H-Indeno(1,2-b)furan-2,5(3H)-dione, 3-((((2R)-2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3a,4,6,7,8,8b-hexahydro-8,8-dimethyl-, (3E,3aR,8bS)-, 2H-Indeno(1,2-b)furan-2,5(3H)-dione, 3-(((2,5-dihydro-4-methyl-5-oxo-2-furanyl)oxy)methylene)-3a,4,6,7,8,8b-hexahydro-8,8-dimethyl-, (3ar-(3E(R*),3aalpha,8balpha))-, 2H-INDENO(1,2-B)FURAN-2,5(3H)-DIONE, 3-(((2,5-DIHYDRO-4-METHYL-5-OXO-2-FURANYL)OXY)METHYLENE)-3A,4,6,7,8,8B-HEXAHYDRO-8,8-DIMETHYL-, (3AR-(3E(R*),3A.ALPHA.,8B.ALPHA.))-, (3E,3aR,8bS)-8,8-dimethyl-3-(((2R)-4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene)-4,6,7,8b-tetrahydro-3aH-indeno(1,2-b)furan-2,5-dione, (3E,3aR,8bS)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,6,7,8b-tetrahydro-3aH-indeno[1,2-b]furan-2,5-dione, (+/-)-Strigon, [3E(R*),3aa,8ba]-(+/-)-3-[[(2,5-Dihydro-4-methyl-5-oxo-2-furanyl)oxy]methylene]-3a,4,6,7,8,8b-hexahydro-8,8-dimethyl-2H-indeno[1,2-b]furan-2,5(3H)-dione, 148616-03-9 |
|---|---|
| Topological Polar Surface Area | 78.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 782.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (3E,3aR,8bS)-8,8-dimethyl-3-[[(2R)-4-methyl-5-oxo-2H-furan-2-yl]oxymethylidene]-4,6,7,8b-tetrahydro-3aH-indeno[1,2-b]furan-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.6 |
| Molecular Formula | C19H20O6 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HZXNZCJZYALICU-XNLQBRSGSA-N |
| Fcsp3 | 0.5263157894736842 |
| Logs | -4.359 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.612 |
| Compound Name | (+)-Strigone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 344.126 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 344.126 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 344.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.8699506000000006 |
| Inchi | InChI=1S/C19H20O6/c1-9-6-14(24-17(9)21)23-8-12-10-7-11-13(20)4-5-19(2,3)15(11)16(10)25-18(12)22/h6,8,10,14,16H,4-5,7H2,1-3H3/b12-8+/t10-,14-,16+/m1/s1 |
| Smiles | CC1=C[C@@H](OC1=O)O/C=C/2\[C@H]3CC4=C([C@H]3OC2=O)C(CCC4=O)(C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Houttuynia Cordata (Plant) Rel Props:Source_db:cmaup_ingredients