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Pericine

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 30137d07-07d0-4717-a213-548518aea6aa
Taxonomy Alkaloids and derivatives > Strychnos alkaloids
IUPAC Name (1R,16E)-16-ethylidene-2-methylidene-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene
SMILES (Canonical) CC=C1CN2CCC1C(=C)C3=C(CC2)C4=CC=CC=C4N3
SMILES (Isomeric) C/C=C\1/CN2CC[C@H]1C(=C)C3=C(CC2)C4=CC=CC=C4N3
InChI InChI=1S/C19H22N2/c1-3-14-12-21-10-8-15(14)13(2)19-17(9-11-21)16-6-4-5-7-18(16)20-19/h3-7,15,20H,2,8-12H2,1H3/b14-3-/t15-/m0/s1
InChI Key VAUGOKMDSLQYNG-WNDJQJCJSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C19H22N2
Molecular Weight 278.40 g/mol
Exact Mass 278.178298710 g/mol
Topological Polar Surface Area (TPSA) 19.00 Ų
XlogP 3.20

Synonyms

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84638-28-8
56UJL0958V
(1R,16E)-16-ethylidene-2-methylidene-4,14-diazatetracyclo[12.2.2.03,11.05,10]octadeca-3(11),5,7,9-tetraene
UNII-56UJL0958V
SCHEMBL9404439
DTXSID101018405
2H-3,6-Ethanoazonino(5,4-b)indole, 5-ethylidcene-1,4,5,6,7,8-hexahydro-7-methylene-, (R-(E))-
Q7168395
2H-3,6-ETHANOAZONINO(5,4-B)INDOLE, 5-ETHYLIDENE-1,4,5,6,7,8-HEXAHYDRO-7-METHYLENE-, (5E,6R)-
2H-3,6-ETHANOAZONINO(5,4-B)INDOLE, 5-ETHYLIDENE-1,4,5,6,7,8-HEXAHYDRO-7-METHYLENE-, (R-(E))-

2D Structure

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2D Structure of Pericine

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID UniProt ID Name Min activity Assay type Source
No proven targets yet!

Predicted Targets (via Super-PRED):

CHEMBL ID UniProt ID Name Probability Model accuracy
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.31% 95.56%
CHEMBL240 Q12809 HERG 95.65% 89.76%
CHEMBL3192 Q9BY41 Histone deacetylase 8 93.96% 93.99%
CHEMBL2581 P07339 Cathepsin D 93.08% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.05% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.04% 96.09%
CHEMBL3310 Q96DB2 Histone deacetylase 11 91.45% 88.56%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.54% 93.40%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.12% 95.89%
CHEMBL3227 P41594 Metabotropic glutamate receptor 5 86.09% 96.42%
CHEMBL3137262 O60341 LSD1/CoREST complex 85.51% 97.09%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 84.58% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 83.09% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.29% 94.45%
CHEMBL228 P31645 Serotonin transporter 82.25% 95.51%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 82.15% 81.14%
CHEMBL2189110 Q15910 Histone-lysine N-methyltransferase EZH2 80.12% 97.50%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Kopsia arborea

Cross-Links

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PubChem 6440735
LOTUS LTS0099487
wikiData Q7168395