Molecule

Corynoxine B

AlkaPlorer ID: AK003533

Synonym: None

IUPAC Name: methyl (E)-2-[(3R,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

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

InChIKey: DAXYUDFNWXHGBE-XYEDMTIPSA-N

Reference

Effect of oxindole alkaloids from the hooks of Uncaria macrophylla on thiopental-induced hypnosis

PubChem CID: 10091424

LOTUS: LTS0025580

SuperNatural Ⅲ: SN0060888-31

NPASS: NPC310403

data_source: manually

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
Haplopappus paucidentatus	Haplopappus	Asteraceae	Asterales	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
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	-4.4	%	10.1021/acs.jnatprod.0c01055
Homo sapiens	Delta opioid receptor	Activity	65.5	%	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	4.5	%	10.1021/acs.jnatprod.0c01055
Homo sapiens	Kappa opioid receptor	Activity	51.8	%	10.1021/acs.jnatprod.0c01055
Homo sapiens	MCF7	Activity	nan	None	10.1021/acs.jnatprod.8b00324
Homo sapiens	Mu opioid receptor	Activity	45.4	%	10.1021/acs.jnatprod.0c01055
Homo sapiens	Mu opioid receptor	Activity	94.4	%	10.1021/acs.jnatprod.0c01055
Homo sapiens	Mu opioid receptor	Ki	109.8	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
None	ADMET	Drug degradation	-1.1	%	10.1021/acs.jnatprod.0c01163
None	ADMET	Drug degradation	0.8	%	10.1021/acs.jnatprod.0c01163
None	ADMET	Drug degradation	1.6	%	10.1021/acs.jnatprod.0c01163
None	ADMET	Drug degradation	2.4	%	10.1021/acs.jnatprod.0c01163
None	ADMET	Drug degradation	4.0	%	10.1021/acs.jnatprod.0c01163
None	ADMET	Drug degradation	10.2	%	10.1021/acs.jnatprod.0c01163
None	ADMET	Drug degradation	11.3	%	10.1021/acs.jnatprod.0c01163
None	ADMET	Drug degradation	12.7	%	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