(S)-Bulbocapnine
Representations & DB's id
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| ChEBI: | CHEBI:3211 | |
|---|---|---|
| ChEMBL: | CHEMBL157912 | |
| PubChem: | 12441 | |
| IUPAC: | (12S)-17-methoxy-11-methyl-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaen-18-ol | |
| Standard InChI: | InChI=1S/C19H19NO4/c1-20-6-5-11-8-14-19(24-9-23-14)17-15(11)12(20)7-10-3-4-13(22-2)18(21)16(10)17/h3-4,8,12,21H,5-7,9H2,1-2H3/t12-/m0/s1 | |
| Standard InChI Key: | LODGIKWNLDQZBM-LBPRGKRZSA-N | |
| SMILES: | COc1ccc2c(c1O)c1c3OCOc3cc3c1[C@H](C2)N(C)CC3 | |
Molecular propeties
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| AlogP: | 2.88 | |
|---|---|---|
| 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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