(11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Chemical Structure Depiction of
(11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
(11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one
Compound characteristics
| Compound ID: | C247-0101 |
| Compound Name: | (11Z)-11-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthen-12-one |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C28 H31 N O7 |
| Smiles: | COc1cccc2C3C4CCCCC4(NC(C\3=C(/C=C/c3ccc(c(c3OC)OC)OC)O)=O)Oc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2181 |
| logD: | 4.218 |
| logSw: | -4.3687 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.486 |
| InChI Key: | VTPCEVLARPIEKB-UHFFFAOYSA-N |