Taiwaniaquinone H
PubChem CID: 44597340
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Taiwaniaquinone H, CHEMBL1077114, (4bS)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-1,4-dione, 858133-94-5 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 700.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (4bS)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7-dihydro-5H-fluorene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 4.6 |
| Molecular Formula | C20H26O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | LEXZEULYIQDNCX-FQEVSTJZSA-N |
| Fcsp3 | 0.6 |
| Logs | -4.596 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.237 |
| Compound Name | Taiwaniaquinone H |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 314.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 314.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 314.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.542835 |
| Inchi | InChI=1S/C20H26O3/c1-11(2)14-16(21)12-10-13-19(3,4)8-7-9-20(13,5)15(12)17(22)18(14)23-6/h10-11H,7-9H2,1-6H3/t20-/m0/s1 |
| Smiles | CC(C)C1=C(C(=O)C2=C(C1=O)C=C3[C@@]2(CCCC3(C)C)C)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Taiwania Cryptomerioides (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all