Heyneanine
AlkaPlorer ID: AK014559
Synonym: '', 'Epiheyneanin', '(-)-Heyneanine', 'Epiheyneanine', '20-Epiheyneanine', '(-)-19-Epiheyneanine', 'Heyneanine', '19-Epiheyneanine', '19-epi-Heyneanine', 'Heyneanin'
IUPAC Name: methyl (1S,15R,17R,18S)-17-[(1R)-1-hydroxyethyl]-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Structure
SMILES: COC(=O)[C@@]12C[C@H]3C[C@@H]([C@@H](C)O)[C@@H]1N(CCC1=C2NC2=CC=CC=C12)C3
InChI: InChI=1S/C21H26N2O3/c1-12(24)16-9-13-10-21(20(25)26-2)18-15(7-8-23(11-13)19(16)21)14-5-3-4-6-17(14)22-18/h3-6,12-13,16,19,22,24H,7-11H2,1-2H3/t12-,13-,16+,19+,21-/m1/s1
InChIKey: VGDQBNXQAOYMPS-FZXGXICSSA-N
Reference
Tertiary Indole Alkaloids from Fruits of<i>Tabernaemontana dichotoma</i>
PubChem CID: 162988186
LOTUS: LTS0196587
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana catharinensis | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 354.45000000000005
TPSA？: 65.56
MolLogP？: 2.226
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|