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Corynanrheidine

AlkaPlorer ID: AK001509

Synonym: None

IUPAC Name: methyl (E)-2-[(2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate

Structure

SMILES: CC[C@@H]1CN2CCC3=C(NC4=CC=CC=C34)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC

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InChI: InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1

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InChIKey: NMLUOJBSAYAYEM-QALMDFCDSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Uncaria macrophylla Uncaria Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ardisia pusilla Ardisia Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Excoecaria cochinchinensis Excoecaria Euphorbiaceae Malpighiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Monochaetia dimorphospora Monochaetia Sporocadaceae Xylariales Sordariomycetes Ascomycota Fungi Eukaryota
Actinostemma lobatum Actinostemma Cucurbitaceae Cucurbitales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Dendrobium lohohense Dendrobium Orchidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rosa gallica Rosa Rosaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota
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
Stephanitis pyri Stephanitis Tingidae Hemiptera Insecta Arthropoda Metazoa Eukaryota
Mitragyna speciosa Mitragyna Rubiaceae Gentianales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Picris conyzoides Picris Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Stenocarpus salignus Stenocarpus Proteaceae Proteales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cryptocarya lividula Cryptocarya Lauraceae Laurales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Penstemon gentianoides Penstemon Plantaginaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ulmus davidiana Ulmus Ulmaceae Rosales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 368.47700000000015

TPSA？: 54.56

MolLogP？: 3.816500000000003

Number of H-Donors: 1

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canis lupus familiaris MDCK CC50 45.1 ug.mL-1 10.1016/S0960-894X(97)10154-8
Canis lupus familiaris MDCK EC50 45.1 ug.mL-1 10.1016/S0960-894X(97)10154-8
Cavia porcellus Cavia porcellus Contraction 5.7 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus Contraction 6.3 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus Contraction 7.0 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus Contraction 13.2 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus Contraction 43.0 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus Contraction 109.2 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus Inhibition -21.0 % 10.1021/jm010576e
Cavia porcellus Cavia porcellus Inhibition -18.1 % 10.1021/jm010576e
Cavia porcellus Kappa opioid receptor Ki 2570.4 nM 10.1021/jm010576e
Cavia porcellus Kappa opioid receptor Relative affinity 3.2 % 10.1021/jm010576e
Cavia porcellus Mu opioid receptor Ki 72.44 nM 10.1021/jm010576e
Cavia porcellus Mu opioid receptor Relative affinity 95.8 % 10.1021/jm010576e
Homo sapiens Alpha-1a adrenergic receptor Inhibition 45.9 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1a adrenergic receptor Inhibition 100.5 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1a adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1b adrenergic receptor Inhibition 19.6 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1b adrenergic receptor Inhibition 91.0 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1b adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1d adrenergic receptor Inhibition 73.5 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1d adrenergic receptor Inhibition 101.2 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-1d adrenergic receptor Ki 41.7 nM 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2a adrenergic receptor Inhibition 27.2 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2a adrenergic receptor Inhibition 95.1 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2a adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2b adrenergic receptor Inhibition 8.5 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2b adrenergic receptor Inhibition 79.9 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2b adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Alpha-2c adrenergic receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Cytochrome P450 2D6 Ki 2800.0 nM 10.1021/acs.jnatprod.0c01163
Homo sapiens Delta opioid receptor Inhibition 8.6 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Delta opioid receptor Inhibition 31.4 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Delta opioid receptor Ki 2884.03 nM 10.1021/jm010576e
Homo sapiens Delta opioid receptor Ki nan None 10.1021/acs.jmedchem.9b01465
Homo sapiens Delta opioid receptor Relative affinity 1.0 % 10.1021/jm010576e
Homo sapiens HeLa Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens HepG2 Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens HT-29 Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens Kappa opioid receptor Inhibition 16.7 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Kappa opioid receptor Inhibition 59.4 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Kappa opioid receptor Ki 1910.0 nM 10.1021/acs.jmedchem.9b01465
Homo sapiens MCF7 Activity nan None 10.1021/acs.jnatprod.8b00324
Homo sapiens Mu opioid receptor Inhibition 39.6 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Mu opioid receptor Inhibition 96.8 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Mu opioid receptor Ki 118.0 nM 10.1021/acs.jmedchem.9b01465
Homo sapiens Mu opioid receptor Ki 1910.0 nM 10.1021/acs.jnatprod.0c01055
Homo sapiens Nociceptin receptor Inhibition -1.3 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Nociceptin receptor Inhibition 27.0 % 10.1021/acs.jmedchem.9b01465
Homo sapiens Serotonin 1a (5-HT1a) receptor Activity 2.5 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 1a (5-HT1a) receptor Activity 77.3 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2a (5-HT2a) receptor Activity -6.8 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2a (5-HT2a) receptor Activity 28.7 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2b (5-HT2b) receptor Activity 14.8 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2b (5-HT2b) receptor Activity 76.3 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2c (5-HT2c) receptor Activity 2.5 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 2c (5-HT2c) receptor Activity 3.8 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 3a (5-HT3a) receptor Activity 6.2 % 10.1021/acs.jmedchem.1c00726
Homo sapiens Serotonin 3a (5-HT3a) receptor Activity 6.8 % 10.1021/acs.jmedchem.1c00726
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 reverse transcriptase IC50 200.0 ug.mL-1 10.1021/np50073a012
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Activity -4.2 % 10.1021/acs.jmedchem.1c00726
Rattus norvegicus Serotonin 1b (5-HT1b) receptor Activity 10.7 % 10.1021/acs.jmedchem.1c00726
None ADMET AUC 8.2 ng.hr.mL-1 10.1021/acs.jnatprod.0c01163
None ADMET AUC 30.4 ng.hr.mL-1 10.1021/acs.jnatprod.0c01163
None ADMET AUC/dose 63.1 hr.kg.ng/ml/mg 10.1021/acs.jnatprod.0c01163
None ADMET AUC/dose 138.8 hr.kg.ng/ml/mg 10.1021/acs.jnatprod.0c01163
None ADMET AUC/dose 152.2 hr.kg.ng/ml/mg 10.1021/acs.jnatprod.0c01163
None ADMET CL 4.1 mL.min-1.kg-1 10.1021/acs.jmedchem.9b01465
None ADMET CL 103.1 mL.min-1.kg-1 10.1021/acs.jmedchem.9b01465
None ADMET Cmax 4.885 nM 10.1021/acs.jnatprod.0c01163
None ADMET Cmax 8.413 nM 10.1021/acs.jnatprod.0c01163
None ADMET Cmax/dose 10.7 ng/ml 10.1021/acs.jnatprod.0c01163
None ADMET Cmax/dose 14.0 kg.ng/ml/mg 10.1021/acs.jnatprod.0c01163
None ADMET Cmax/dose 15.6 kg.ng/ml/mg 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation -4.6 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation -0.8 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 3.3 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 5.6 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 6.4 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 9.5 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 11.4 % 10.1021/acs.jnatprod.0c01163
None ADMET Drug degradation 14.2 % 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
None ADMET ERH 0.2 None 10.1021/acs.jmedchem.9b01465
None ADMET Fu 0.02 None 10.1021/acs.jmedchem.9b01465
None ADMET Fu 0.4 None 10.1021/acs.jmedchem.9b01465
None ADMET Kel 0.1145 /min 10.1021/acs.jmedchem.9b01465
None ADMET Ratio 2.4 None 10.1021/acs.jnatprod.0c01163
None ADMET T1/2 0.1017 hr 10.1021/acs.jmedchem.9b01465
None ADMET Tmax 1.0 hr 10.1021/acs.jnatprod.0c01163
None ADMET Tmax 3.1 hr 10.1021/acs.jnatprod.0c01163

Metabolism Information