Lindenenone
PubChem CID: 46173904
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| Compound Synonyms | Lindenenone, CHEBI:81078, 26379-19-1, C17424, Q27155035 |
|---|---|
| Topological Polar Surface Area | 30.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 450.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 3.0 |
| Iupac Name | (9S,10R,12S)-4,9,13-trimethyl-6-oxatetracyclo[7.4.0.03,7.010,12]trideca-1(13),3(7),4-trien-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.7 |
| Molecular Formula | C15H16O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JWUZQAFWZLAXJS-FCHSOHFDSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -5.137 |
| Rotatable Bond Count | 0.0 |
| Logd | 3.7 |
| Compound Name | Lindenenone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 228.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 228.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 228.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 3.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1425512588235294 |
| Inchi | InChI=1S/C15H16O2/c1-7-6-17-11-5-15(3)10-4-9(10)8(2)13(15)14(16)12(7)11/h6,9-10H,4-5H2,1-3H3/t9-,10-,15+/m1/s1 |
| Smiles | CC1=COC2=C1C(=O)C3=C([C@H]4C[C@H]4[C@@]3(C2)C)C |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lindera Aggregata (Plant) Rel Props:Source_db:cmaup_ingredients