[4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]-phenylmethanone
PubChem CID: 162668331
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| Compound Synonyms | CHEMBL4786140 |
|---|---|
| Topological Polar Surface Area | 57.5 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 26.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 498.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]-phenylmethanone |
| Prediction Hob | 1.0 |
| Xlogp | 6.3 |
| Molecular Formula | C23H26O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CNAXYMJHMHYJAV-SFQUDFHCSA-N |
| Fcsp3 | 0.2608695652173913 |
| Logs | -3.635 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.45 |
| Compound Name | [4-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,5-dihydroxyphenyl]-phenylmethanone |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 350.188 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 350.188 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 350.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.886578061538462 |
| Inchi | InChI=1S/C23H26O3/c1-16(2)8-7-9-17(3)12-13-20-21(24)14-19(15-22(20)25)23(26)18-10-5-4-6-11-18/h4-6,8,10-12,14-15,24-25H,7,9,13H2,1-3H3/b17-12+ |
| Smiles | CC(=CCC/C(=C/CC1=C(C=C(C=C1O)C(=O)C2=CC=CC=C2)O)/C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Garcinia Kola (Plant) Rel Props:Source_db:cmaup_ingredients