Trichocadinin G
PubChem CID: 145721095
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| Compound Synonyms | Trichocadinin G, (8R)-3-hydroxy-5-oxo-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid, CHEMBL4448506, CHEBI:224681, (8R)-3-Hydroxy-5-oxo-8-(propan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxylate |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 350.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-3-hydroxy-5-oxo-8-propan-2-yl-7,8-dihydro-6H-naphthalene-2-carboxylic acid |
| Prediction Hob | 1.0 |
| Xlogp | 2.9 |
| Molecular Formula | C14H16O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | RAEAZOBPRHFGFO-MRVPVSSYSA-N |
| Fcsp3 | 0.4285714285714285 |
| Logs | -2.457 |
| Rotatable Bond Count | 2.0 |
| Logd | 2.173 |
| Compound Name | Trichocadinin G |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 248.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 248.105 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 248.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.3020902666666663 |
| Inchi | InChI=1S/C14H16O4/c1-7(2)8-3-4-12(15)10-6-13(16)11(14(17)18)5-9(8)10/h5-8,16H,3-4H2,1-2H3,(H,17,18)/t8-/m1/s1 |
| Smiles | CC(C)[C@H]1CCC(=O)C2=CC(=C(C=C12)C(=O)O)O |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Artemisia Argyi (Plant) Rel Props:Source_db:cmaup_ingredients