picrinine
AlkaPlorer ID: AK033967
Synonym: 'Deacetyldeformopicraline', 'Picrinine', 'Methyl(2alpha,5alpha,19E)-1,2-dihydro-2,5-epoxyakuammilan-17-oate'
IUPAC Name: methyl (1R,9R,11S,14E,15R,17S,19S)-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=C(C=CC=C6)N[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-UYIKASJQSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana bovina | Tabernaemontana | 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 |
|---|