Molecule

Isocorynoxeine

AlkaPlorer ID: AK006407

Synonym: None

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

Structure

SMILES: C=C[C@H]1CN2CC[C@@]3(C(=O)NC4=CC=CC=C43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

InChI: InChI=1S/C22H26N2O4/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/h4-8,13-15,19H,1,9-12H2,2-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22-/m0/s1

InChIKey: MUVGVMUWMAGNSY-VKCGGMIFSA-N

Reference

A New 9‐Methoxyyohimbine‐Type Indole Alkaloid from Mitragyna africanus.

PubChem CID: 3037448

LOTUS: LTS0215971

SuperNatural Ⅲ: SN0235936-13

NPASS: NPC243673

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Uncaria macrophylla	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Cestrum parqui	Cestrum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Klasea quinquefolia	Klasea	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fusarium caucasicum	Fusarium	Nectriaceae	Hypocreales	Sordariomycetes	Ascomycota	Fungi	Eukaryota
Capsicum annuum	Capsicum	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Haplopappus paucidentatus	Haplopappus	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uncaria rhynchophylla	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lomatia ilicifolia	Lomatia	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Dictyostelium purpureum	Dictyostelium	Dictyosteliaceae	Dictyosteliales	Eumycetozoa	Evosea	None	Eukaryota
Talaromyces funiculosus	Talaromyces	Trichocomaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Rumex chalepensis	Rumex	Polygonaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Agaricus arvensis	Agaricus	Agaricaceae	Agaricales	Agaricomycetes	Basidiomycota	Fungi	Eukaryota
Uncaria sinensis	Uncaria	Rubiaceae	Gentianales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lomatia arborescens	Lomatia	Proteaceae	Proteales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Monostroma nitidum	Monostroma	Monostromataceae	Ulvales	Ulvophyceae	Chlorophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 382.46000000000015

TPSA？: 67.87

MolLogP？: 2.4762000000000004

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Serotonin 1a (5-HT1a) receptor	EC50	100000.0	nM	10.1021/acs.jnatprod.9b00532
None	NON-PROTEIN TARGET	Activity	nan	None	10.1021/np8000305
None	Unchecked	IC50	13700.0	nM	10.1021/np8000305
None	Unchecked	Inhibition	34.6	%	10.1021/np8000305
None	Unchecked	Inhibition	40.5	%	10.1021/np8000305
None	Unchecked	Inhibition	73.2	%	10.1021/np8000305
None	Unchecked	Inhibition	92.2	%	10.1021/np8000305