Picrinine
AlkaPlorer ID: AK033963
Synonym: None
IUPAC Name: methyl (1R,9R,11S,14E,15R,17S,19R)-14-ethylidene-18-oxa-2,12-diazahexacyclo[9.6.1.19,15.01,9.03,8.012,17]nonadeca-3,5,7-triene-19-carboxylate
Structure
SMILES: C/C=C1/CN2[C@@H]3C[C@@]45C6=CC=CC=C6N[C@]4(O3)[C@@H]2C[C@@H]1[C@H]5C(=O)OC
InChI: InChI=1S/C20H22N2O3/c1-3-11-10-22-15-8-12(11)17(18(23)24-2)19-9-16(22)25-20(15,19)21-14-7-5-4-6-13(14)19/h3-7,12,15-17,21H,8-10H2,1-2H3/b11-3-/t12-,15-,16-,17-,19-,20-/m0/s1
InChIKey: BDXYPHKGNUGUFG-VETGLWQVSA-N
Reference
Alkaloids from Melodinus hemsleyanus
PubChem CID: 46229104
LOTUS: LTS0147719
SuperNatural Ⅲ: SN0022931-13
NPASS: NPC181928
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Alstonia macrophylla | Alstonia | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 338.4070000000001
TPSA？: 50.8
MolLogP？: 2.2458
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Cyclooxygenase-2 | Inhibition | 94.77 | % | 10.1016/j.ejmech.2021.113165 |
| Homo sapiens | Sodium/glucose cotransporter 1 | Inhibition | 9.6 | % | 10.1016/j.bmc.2010.01.077 |
| Homo sapiens | Sodium/glucose cotransporter 2 | Inhibition | 27.3 | % | 10.1016/j.bmc.2010.01.077 |