Molecule

Paynantheine

AlkaPlorer ID: AK029951

Synonym: 'Indolo2,3-aquinolizine', '3-Isopaynantheine', 'Isopaynantheine'

IUPAC Name: methyl 2-[(2R,3S,12bR)-3-ethenyl-8-methoxy-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Structure

SMILES: C=C[C@@H]1CN2CCC3=C(NC4=C3C(OC)=CC=C4)[C@H]2C[C@H]1C(=COC)C(=O)OC

InChI: InChI=1S/C23H28N2O4/c1-5-14-12-25-10-9-15-21-18(7-6-8-20(21)28-3)24-22(15)19(25)11-16(14)17(13-27-2)23(26)29-4/h5-8,13-14,16,19,24H,1,9-12H2,2-4H3/t14-,16-,19-/m1/s1

InChIKey: JGZKIGWXPPFMRG-IDHHARJASA-N

Reference

PubChem CID: 162961428

NPASS: NPC9777

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Anthyllis onobrychoides	Anthyllis	Fabaceae	Fabales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Knautia montana	Knautia	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ixeris chinensis	Ixeris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Euphorbia pannonica	Euphorbia	Euphorbiaceae	Malpighiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Mitragyna speciosa	Mitragyna	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Picris conyzoides	Picris	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cryptocarya lividula	Cryptocarya	Lauraceae	Laurales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Penstemon gentianoides	Penstemon	Plantaginaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 396.4870000000002

TPSA？: 63.790000000000006

MolLogP？: 3.6011000000000024

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi