Nidemone
PubChem CID: 21574988
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | nidemone, 8-hydroxy-3'-methoxyspiro[3,4-dihydronaphthalene-2,4'-cyclopent-2-ene]-1,1'-dione, 8-hydroxy-3'-methoxyspiro(3,4-dihydronaphthalene-2,4'-cyclopent-2-ene)-1,1'-dione, CHEMBL513538, 651031-37-7 |
|---|---|
| Topological Polar Surface Area | 63.6 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 453.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-hydroxy-3'-methoxyspiro[3,4-dihydronaphthalene-2,4'-cyclopent-2-ene]-1,1'-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C15H14O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | HMYHQSWJLABPMD-UHFFFAOYSA-N |
| Fcsp3 | 0.3333333333333333 |
| Logs | -3.418 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.367 |
| Compound Name | Nidemone |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 258.089 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 258.089 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 258.269 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.7303768105263155 |
| Inchi | InChI=1S/C15H14O4/c1-19-12-7-10(16)8-15(12)6-5-9-3-2-4-11(17)13(9)14(15)18/h2-4,7,17H,5-6,8H2,1H3 |
| Smiles | COC1=CC(=O)CC12CCC3=C(C2=O)C(=CC=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Nidema Boothii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all