Taiwaniaquinone G
PubChem CID: 25199270
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| Compound Synonyms | Taiwaniaquinone G, (4bS,8aS)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-fluorene-1,4-dione, CHEMBL1088628, 858133-93-4 |
|---|---|
| Topological Polar Surface Area | 43.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 23.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 648.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 2.0 |
| Iupac Name | (4bS,8aS)-3-methoxy-4b,8,8-trimethyl-2-propan-2-yl-6,7,8a,9-tetrahydro-5H-fluorene-1,4-dione |
| Prediction Hob | 0.0 |
| Xlogp | 4.8 |
| Molecular Formula | C20H28O3 |
| Prediction Swissadme | 1.0 |
| Inchi Key | AVTKDJHUFWOONG-RBZFPXEDSA-N |
| Fcsp3 | 0.7 |
| Logs | -4.741 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.292 |
| Compound Name | Taiwaniaquinone G |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 316.204 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 316.204 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 316.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.7191342 |
| Inchi | InChI=1S/C20H28O3/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/h11,13H,7-10H2,1-6H3/t13-,20-/m0/s1 |
| Smiles | CC(C)C1=C(C(=O)C2=C(C1=O)C[C@@H]3[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