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Corynoxine

AlkaPlorer ID: AK003525

Synonym: None

IUPAC Name: methyl (E)-2-[(3S,6'S,7'S,8'aS)-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=C3C=CC=C4)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

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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+/m1/s1

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InChIKey: DAXYUDFNWXHGBE-NRAMRBJXSA-N

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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
Uncaria cordata Uncaria Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Haplopappus paucidentatus Haplopappus Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Uncaria sessilifructus Uncaria Rubiaceae Gentianales 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
Maxillaria densa Maxillaria Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Clivia nobilis Clivia Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Uncaria attenuata Uncaria Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Amburana cearensis Amburana Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lomatia arborescens Lomatia Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Leproloma diffusum Leproloma Stereocaulaceae Lecanorales Lecanoromycetes Ascomycota Fungi Eukaryota
Monostroma nitidum Monostroma Monostromataceae Ulvales Ulvophyceae Chlorophyta 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
Homo sapiens Delta opioid receptor Activity -3.9 % 10.1021/acs.jnatprod.0c01055
Homo sapiens Delta opioid receptor Activity 73.8 % 10.1021/acs.jnatprod.0c01055
Homo sapiens HeLa Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens HepG2 Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens HL-60 IC50 40000.0 nM 10.1021/np1004938
Homo sapiens HT-29 Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens Kappa opioid receptor Activity 3.8 % 10.1021/acs.jnatprod.0c01055
Homo sapiens Kappa opioid receptor Activity 75.3 % 10.1021/acs.jnatprod.0c01055
Homo sapiens MCF7 Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens Mu opioid receptor Activity 80.1 % 10.1021/acs.jnatprod.0c01055
Homo sapiens Mu opioid receptor Activity 97.8 % 10.1021/acs.jnatprod.0c01055
Homo sapiens Mu opioid receptor Ki 16.4 nM 10.1021/acs.jnatprod.0c01055
Homo sapiens SW480 IC50 40000.0 nM 10.1021/np1004938
Rattus norvegicus Aorta IC50 30.0 ug.mL-1 10.1021/np1004938
Rattus norvegicus Rattus norvegicus ED50 6.75 mg.kg-1 10.1021/acs.jnatprod.0c01055
None ADMET Drug degradation -2.2 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 2.4 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 2.7 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 3.2 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 8.1 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 9.2 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 9.6 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 14.6 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug recovery 80.0 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug recovery 90.0 % 10.1021/acs.jnatprod.0c01163

Metabolism Information