(11Z)-11-[(2E)-3-(2,5-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Chemical Structure Depiction of
(11Z)-11-[(2E)-3-(2,5-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
(11Z)-11-[(2E)-3-(2,5-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Compound characteristics
| Compound ID: | K273-0179 |
| Compound Name: | (11Z)-11-[(2E)-3-(2,5-dimethoxyphenyl)-1-hydroxyprop-2-en-1-ylidene]-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one |
| Molecular Weight: | 433.5 |
| Molecular Formula: | C26 H27 N O5 |
| Smiles: | COc1ccc(c(/C=C/C(=C2\C3C4CCCCC4(NC2=O)Oc2ccccc23)O)c1)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5402 |
| logD: | 4.54 |
| logSw: | -4.3562 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.281 |
| InChI Key: | QWTYJFUEIQJLMQ-UHFFFAOYSA-N |