Molecule

Corynoxine

AlkaPlorer ID: AK003529

Synonym: '', '7-Isocorynoxine', "methyl(E)-2-(3R,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine-7'-yl-3-methoxyprop-2-enoate", 'Mitrinermine', 'SMR000470794', '(+/-)-Isorhynchophylline', 'MLS000728608', 'Isorhynchophylline', 'Corynoxine B', "methyl(E)-2-(3S,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine-7'-yl-3-methoxyprop-2-enoate", 'MLSMR', 'Corynoxine', 'Rhynchophylline', "methyl(E)-2-(3S,6'S,7'S,8'aS)-6'-ethyl-2-oxospiro1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine-7'-yl-3-methoxyprop-2-enoate", "methyl(E)-2-(3R,6'R,7'S,8'aS)-6'-ethyl-2-oxospiro1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine-7'-yl-3-methoxyprop-2-enoate"

IUPAC Name: methyl (E)-2-[(3R,6'R,7'S)-6'-ethyl-2-oxospiro[1H-indole-3,1'-3,5,6,7,8,8a-hexahydro-2H-indolizine]-7'-yl]-3-methoxyprop-2-enoate

Structure

SMILES: CC[C@H]1CN2CC[C@]3(C(O)=NC4=CC=CC=C43)C2C[C@@H]1/C(=C\OC)C(=O)OC

InChI: InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19?,22+/m0/s1

InChIKey: DAXYUDFNWXHGBE-PRMJBSFUSA-N

Reference

Identiﬁcation and quantiﬁcation of components in extracts of <i>Uncaria tomentosa</i> by HPLC‐ES/MS

PubChem CID: 117829480

LOTUS: LTS0099101

NPASS: NPC176006

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Uncaria macrophylla	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uncaria rhynchophylla	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uncaria sinensis	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 384.4760000000002

TPSA？: 71.36

MolLogP？: 3.349700000000002

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	VSMC	Activity	25.0	%	10.1016/j.bmc.2021.116270
None	VSMC	Activity	63.0	%	10.1016/j.bmc.2021.116270
None	VSMC	Activity	88.0	%	10.1016/j.bmc.2021.116270