[(6E)-8-(8-methoxy-2-oxochromen-7-yl)oxy-2,6-dimethylocta-2,6-dien-4-yl] acetate
PubChem CID: 5320123
Connections displayed (default: 10).
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| Topological Polar Surface Area | 71.1 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 28.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 643.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | [(6E)-8-(8-methoxy-2-oxochromen-7-yl)oxy-2,6-dimethylocta-2,6-dien-4-yl] acetate |
| Prediction Hob | 1.0 |
| Xlogp | 4.7 |
| Molecular Formula | C22H26O6 |
| Prediction Swissadme | 0.0 |
| Inchi Key | CSEHFWRYAPKMKF-XNTDXEJSSA-N |
| Fcsp3 | 0.3636363636363636 |
| Logs | -4.591 |
| Rotatable Bond Count | 9.0 |
| Logd | 3.429 |
| Compound Name | [(6E)-8-(8-methoxy-2-oxochromen-7-yl)oxy-2,6-dimethylocta-2,6-dien-4-yl] acetate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 386.173 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 386.173 |
| Hydrogen Bond Acceptor Count | 6.0 |
| Molecular Weight | 386.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -3.783638514285715 |
| Inchi | InChI=1S/C22H26O6/c1-14(2)12-18(27-16(4)23)13-15(3)10-11-26-19-8-6-17-7-9-20(24)28-21(17)22(19)25-5/h6-10,12,18H,11,13H2,1-5H3/b15-10+ |
| Smiles | CC(=CC(C/C(=C/COC1=C(C2=C(C=C1)C=CC(=O)O2)OC)/C)OC(=O)C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Zanthoxylum Integrifoliolum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Zanthoxylum Schinifolium (Plant) Rel Props:Source_db:cmaup_ingredients