(5-Methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol
Representations & DB's id
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| ChEBI: | None | |
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| ChEMBL: | CHEMBL1077894 | |
| PubChem: | 44557485 | |
| IUPAC: | (5-methoxy-14,16-dioxatetracyclo[9.7.0.02,7.013,17]octadeca-1(18),2(7),3,5,9,11,13(17)-heptaen-10-yl)methanol | |
| Standard InChI: | InChI=1S/C18H16O4/c1-20-13-4-5-14-11(6-13)2-3-12(9-19)15-7-17-18(8-16(14)15)22-10-21-17/h3-8,19H,2,9-10H2,1H3 | |
| Standard InChI Key: | IGHVWFLGYLMNRM-UHFFFAOYSA-N | |
| SMILES: | COc1ccc2c(c1)CC=C(c1c2cc2OCOc2c1)CO | |
Molecular propeties
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| AlogP: | 3.02 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 4 | |
| Molecular Weight: | 296.1 | |
| Topological polar surface area: | 47.9 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.222 | |
| Number of carbons: | 18 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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