[2,5-dihydroxy-6-methyl-3-[(2R)-6-methylhept-5-en-2-yl]phenyl] acetate
PubChem CID: 163037207
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| Topological Polar Surface Area | 66.8 |
|---|---|
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 373.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | [2,5-dihydroxy-6-methyl-3-[(2R)-6-methylhept-5-en-2-yl]phenyl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.4 |
| Molecular Formula | C17H24O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | SVEYZEHSSDWVFD-LLVKDONJSA-N |
| Fcsp3 | 0.4705882352941176 |
| Logs | -2.852 |
| Rotatable Bond Count | 6.0 |
| Logd | 0.3 |
| Compound Name | [2,5-dihydroxy-6-methyl-3-[(2R)-6-methylhept-5-en-2-yl]phenyl] acetate |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 292.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 292.167 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 292.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.252753571428571 |
| Inchi | InChI=1S/C17H24O4/c1-10(2)7-6-8-11(3)14-9-15(19)12(4)17(16(14)20)21-13(5)18/h7,9,11,19-20H,6,8H2,1-5H3/t11-/m1/s1 |
| Smiles | CC1=C(C=C(C(=C1OC(=O)C)O)[C@H](C)CCC=C(C)C)O |
| Nring | 9.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Physalis Pubescens (Plant) Rel Props:Source_db:cmaup_ingredients