Guatterine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL464733 | |
| PubChem: | 10358947 | |
| IUPAC: | (12S,13S)-7-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14,16,18-hexaen-13-ol | |
| Standard InChI: | InChI=1S/C19H19NO4/c1-20-8-7-12-13-14(18-19(17(12)22-2)24-9-23-18)10-5-3-4-6-11(10)16(21)15(13)20/h3-6,15-16,21H,7-9H2,1-2H3/t15-,16-/m0/s1 | |
| Standard InChI Key: | IMMQQBXZSPYGID-HOTGVXAUSA-N | |
| SMILES: | COc1c2OCOc2c2c3c1CCN([C@@H]3[C@H](c1c2cccc1)O)C | |
Molecular propeties
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| AlogP: | 2.67 | |
|---|---|---|
| Hydrogen bonds acceptors: | 5 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 325.13 | |
| Topological polar surface area: | 51.2 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.368 | |
| Number of carbons: | 19 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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