(10Z)-10-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one
Chemical Structure Depiction of
(10Z)-10-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one
(10Z)-10-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one
Compound characteristics
| Compound ID: | C247-0125 |
| Compound Name: | (10Z)-10-[(2E)-1-hydroxy-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-ylidene]-5-methoxy-12-methyl-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-11-one |
| Molecular Weight: | 493.56 |
| Molecular Formula: | C28 H31 N O7 |
| Smiles: | CN1C(C(/C2C3CCCC13Oc1c2cccc1OC)=C(/C=C/c1ccc(c(c1OC)OC)OC)O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.944 |
| logD: | 3.944 |
| logSw: | -4.2292 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.535 |
| InChI Key: | ILXYAFZZBYGBLJ-UHFFFAOYSA-N |