Liriodenine
Representations & DB's id
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| ChEBI: | CHEBI:70649 | |
|---|---|---|
| ChEMBL: | CHEMBL37736 | |
| PubChem: | 10144 | |
| IUPAC: | 3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,9,11,14,16,18-octaen-13-one | |
| Standard InChI: | InChI=1S/C17H9NO3/c19-16-11-4-2-1-3-10(11)14-13-9(5-6-18-15(13)16)7-12-17(14)21-8-20-12/h1-7H,8H2 | |
| Standard InChI Key: | MUMCCPUVOAUBAN-UHFFFAOYSA-N | |
| SMILES: | O=C1c2ccccc2c2c3c1nccc3cc1c2OCO1 | |
Molecular propeties
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| AlogP: | 3.17 | |
|---|---|---|
| Hydrogen bonds acceptors: | 4 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 5 | |
| Molecular Weight: | 275.06 | |
| Topological polar surface area: | 48.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.059 | |
| Number of carbons: | 17 | |
Plant sources
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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