Navigation

name Structure Reference Source Properties Activities Metabolism

alstonine

AlkaPlorer ID: AK004114

Synonym: None

IUPAC Name: methyl (15S,16S,20S)-16-methyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1,3,5,7,9,11,18-heptaene-19-carboxylate

Structure

SMILES: COC(=O)C1=CO[C@@H](C)[C@@H]2CN3C=CC4=C5C=CC=CC5=NC4=C3C[C@H]12

copy

InChI: InChI=1S/C21H20N2O3/c1-12-16-10-23-8-7-14-13-5-3-4-6-18(13)22-20(14)19(23)9-15(16)17(11-26-12)21(24)25-2/h3-8,11-12,15-16H,9-10H2,1-2H3/t12-,15-,16-/m0/s1

copy

InChIKey: WYTGDNHDOZPMIW-RCBQFDQVSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain
Rauvolfia littoralis Rauvolfia Apocynaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 348.4020000000001

TPSA？: 53.35

MolLogP？: 3.4052000000000016

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT010994 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12>>COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c([n-]c5ccccc54)c3C[C@H]12 R12282
AKRT010995 COC(=O)C1=CO[C@@H](C)[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12>>COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@H]12 58128
AKRT010996 COC(=O)C1=CO[C@@H](C)[C@@H]2C[N+]3=CCc4c([nH]c5ccccc45)[C@@H]3C[C@H]12>>COC(=O)C1=CO[C@@H](C)[C@@H]2C[n+]3ccc4c([nH]c5ccccc54)c3C[C@H]12 58208