Dihydrocyperaquinone
PubChem CID: 33771
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Dihydrocyperaquinone, 27304-02-5, DTXSID50181752 |
|---|---|
| Topological Polar Surface Area | 56.5 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 508.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 5-methyl-2-propan-2-ylidene-3H-furo[3,2-f][1]benzofuran-4,8-dione |
| Prediction Hob | 1.0 |
| Xlogp | 2.8 |
| Molecular Formula | C14H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RMJXXSFMQXHKAC-UHFFFAOYSA-N |
| Fcsp3 | 0.2857142857142857 |
| Logs | -4.031 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.904 |
| Compound Name | Dihydrocyperaquinone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 244.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 244.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 244.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.298680755555555 |
| Inchi | InChI=1S/C14H12O4/c1-6(2)9-4-8-11(15)10-7(3)5-17-14(10)12(16)13(8)18-9/h5H,4H2,1-3H3 |
| Smiles | CC1=COC2=C1C(=O)C3=C(C2=O)OC(=C(C)C)C3 |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Hemsleya Macrosperma (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Hemsleya Pengxianensis (Plant) Rel Props:Source_db:cmaup_ingredients