Currayanine
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL1973644 | |
| PubChem: | 375144 | |
| IUPAC: | 13,16-dimethyl-19-prop-1-en-2-yl-15-oxa-4-azapentacyclo[14.3.1.02,14.03,11.05,10]icosa-2(14),3(11),5,7,9,12-hexaene | |
| Standard InChI: | InChI=1S/C23H25NO/c1-13(2)15-9-10-23(4)12-18(15)20-21-17(11-14(3)22(20)25-23)16-7-5-6-8-19(16)24-21/h5-8,11,15,18,24H,1,9-10,12H2,2-4H3 | |
| Standard InChI Key: | KXNHNLQCCJZSEK-UHFFFAOYSA-N | |
| SMILES: | CC(=C)C1CCC2(CC1c1c(O2)c(C)cc2c1[nH]c1c2cccc1)C | |
Molecular propeties
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| AlogP: | 6.24 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 5 | |
| Molecular Weight: | 331.19 | |
| Topological polar surface area: | 25 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.391 | |
| Number of carbons: | 23 | |
In vitro data
| Activity Type | Activity Value | Target Name | UniProt ID | Ref. |
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