(Z)-1-(2,6-dihydroxy-4-methoxyphenyl)oct-5-en-1-one
PubChem CID: 11957912
Connections displayed (default: 10).
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 289.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-1-(2,6-dihydroxy-4-methoxyphenyl)oct-5-en-1-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.5 |
| Molecular Formula | C15H20O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | ZZIKFTFHMPJATM-PLNGDYQASA-N |
| Fcsp3 | 0.4 |
| Logs | -3.362 |
| Rotatable Bond Count | 7.0 |
| Logd | 3.286 |
| Compound Name | (Z)-1-(2,6-dihydroxy-4-methoxyphenyl)oct-5-en-1-one |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 264.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 264.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 264.32 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.4428744105263154 |
| Inchi | InChI=1S/C15H20O4/c1-3-4-5-6-7-8-12(16)15-13(17)9-11(19-2)10-14(15)18/h4-5,9-10,17-18H,3,6-8H2,1-2H3/b5-4- |
| Smiles | CC/C=C\CCCC(=O)C1=C(C=C(C=C1O)OC)O |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Ephedra Equisetina (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Morus Alba (Plant) Rel Props:Source_db:cmaup_ingredients