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name Structure Reference Source Properties Activities Metabolism

Kokusaginine

AlkaPlorer ID: AK002883

Synonym: None

IUPAC Name: 4,6,7-trimethoxyfuro[2,3-b]quinoline

Structure

SMILES: COC1=CC2=NC3=C(C=CO3)C(OC)=C2C=C1OC

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InChI: InChI=1S/C14H13NO4/c1-16-11-6-9-10(7-12(11)17-2)15-14-8(4-5-19-14)13(9)18-3/h4-7H,1-3H3

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InChIKey: JBRXRVFXQIKPEA-UHFFFAOYSA-N

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Reference

Alkaloids from<i>Esenbeckia pilocarpoides</i>

PubChem CID: 10227

CAS: 484-08-2

LOTUS: LTS0232071

SuperNatural Ⅲ: SN0416077

COCONUT: CNP0323192

data_source: manually

Source

Species Genus Family Order Class Phylum Kingdom Domain
Esenbeckia febrifuga Esenbeckia Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 259.261

TPSA？: 53.72000000000001

MolLogP？: 3.006800000000001

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Artemia salina Artemia salina LC50 367.0 ppm 10.1021/np50087a020
Colletotrichum fragariae Colletotrichum fragariae GI nan None 10.1021/jf0259361
Colletotrichum gloeosporioides Colletotrichum gloeosporioides GI 50.0 % 10.1021/jf0259361
Diaporthe ampelina Diaporthe ampelina GI nan None 10.1021/jf0259361
Homo sapiens A2780 IC50 3.5 ug.mL-1 10.1021/np020578h
Homo sapiens Alpha-synuclein Potency 10000.0 nM None
Homo sapiens Bromodomain adjacent to zinc finger domain protein 2B Potency 89125.1 nM None
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens DNA-(apurinic or apyrimidinic site) lyase Potency 2818.4 nM None
Homo sapiens Glucagon-like peptide 1 receptor Potency 14125.4 nM None
Homo sapiens HEK293 Potency 4610.9 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 39810.7 nM None
Homo sapiens MCF7 Activity 0.02 None 10.1016/j.bmcl.2018.05.059
Homo sapiens MCF7 Activity 12.08 % 10.1016/j.bmcl.2018.05.059
Homo sapiens MCF7 Activity 21.63 % 10.1016/j.bmcl.2018.05.059
Homo sapiens MCF7 Activity 39.52 % 10.1016/j.bmcl.2018.05.059
Homo sapiens MCF7 IC50 7230.0 nM 10.1016/j.bmcl.2018.05.059
Homo sapiens MDA-MB-231 IC50 9010.0 nM 10.1016/j.bmcl.2018.05.059
Homo sapiens microRNA 21 Potency 16481.6 nM None
Homo sapiens Mothers against decapentaplegic homolog 3 Potency 6309.6 nM None
Homo sapiens NCI/ADR-RES Activity 0.19 None 10.1016/j.bmcl.2018.05.059
Homo sapiens NCI/ADR-RES Activity 6.4 None 10.1016/j.bmcl.2018.05.059
Homo sapiens NCI/ADR-RES Activity 28.16 % 10.1016/j.bmcl.2018.05.059
Homo sapiens NCI/ADR-RES Activity 45.35 % 10.1016/j.bmcl.2018.05.059
Homo sapiens NCI/ADR-RES Activity 63.29 % 10.1016/j.bmcl.2018.05.059
Homo sapiens NCI/ADR-RES Activity nan None 10.1016/j.bmcl.2018.05.059
Homo sapiens NCI/ADR-RES IC50 4620.0 nM 10.1016/j.bmcl.2018.05.059
Homo sapiens Nuclear factor erythroid 2-related factor 2 Potency 9200.0 nM None
Homo sapiens TAR DNA-binding protein 43 Potency 35481.3 nM None
Homo sapiens Tubulin IC50 820.0 nM 10.1016/j.bmcl.2018.05.059
Homo sapiens Tubulin Inhibition 92.0 % 10.1016/j.bmcl.2018.05.059
Homo sapiens Tubulin Inhibition 98.0 % 10.1016/j.bmcl.2018.05.059
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 281.8 nM None
Mus musculus N1E-115 BK 22.0 % 10.1021/jm001007u
Mus musculus N1E-115 BNa 0.0 % 10.1021/jm001007u
Mus musculus N1E-115 IC50 200000.0 nM 10.1021/jm001007u
Mus musculus Voltage-gated potassium channel subunit Kv1.3 BK 51.0 % 10.1021/jm001007u
Mus musculus Voltage-gated potassium channel subunit Kv1.3 IC50 49000.0 nM 10.1021/jm001007u
Mus musculus Voltage-gated potassium channel subunit Kv1.3 S 4.1 None 10.1021/jm001007u
Phomopsis obscurans Phomopsis obscurans GI 80.0 % 10.1021/jf0259361
Phomopsis obscurans Phomopsis obscurans GI 100.0 % 10.1021/jf0259361
Plasmodium falciparum Plasmodium falciparum Potency 7375.3 nM None
None Neutrophil Activity nan None 10.1021/np800276f
None Neutrophil IC50 61800.0 nM 10.1021/np800276f
None NON-PROTEIN TARGET IC50 74900.0 nM 10.1021/np800276f
None NON-PROTEIN TARGET Inhibition 0.0 % 10.1021/np010122k
None NON-PROTEIN TARGET Inhibition 15.2 % 10.1021/np010122k
None NON-PROTEIN TARGET Inhibition 70.7 % 10.1021/np010122k
None NON-PROTEIN TARGET Inhibition 80.6 % 10.1021/np010122k
None NON-PROTEIN TARGET Inhibition 88.9 % 10.1021/np010122k
None Unchecked IC50 3160.0 nM 10.1016/j.ejmech.2020.112982
None Unchecked IC50 10190.0 nM 10.1016/j.bmcl.2018.05.059
None Unchecked Inhibition nan % 10.1016/j.bmcl.2018.05.059
None Unchecked Potency 82.0 nM None
None Unchecked Potency 22387.2 nM None
None Unchecked Ratio IC50 0.64 None 10.1016/j.bmcl.2018.05.059
None Unchecked Ratio IC50 1.13 None 10.1016/j.bmcl.2018.05.059

Metabolism Information