2,2,6-trimethyl-N-[(2,2,6-trimethyl-3H-chromen-4-ylidene)amino]-3H-chromen-4-imine

Details

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Internal ID 05e258b4-d4a8-4fcd-9f2d-bdc230fe919b
Taxonomy Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > 2,2-dimethyl-1-benzopyrans
IUPAC Name 2,2,6-trimethyl-N-[(2,2,6-trimethyl-3H-chromen-4-ylidene)amino]-3H-chromen-4-imine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H28N2O2/c1-15-7-9-21-17(11-15)19(13-23(3,4)27-21)25-26-20-14-24(5,6)28-22-10-8-16(2)12-18(20)22/h7-12H,13-14H2,1-6H3
InChI Key AFTOQEMNUXGPLZ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C24H28N2O2
Molecular Weight 376.50 g/mol
Exact Mass 376.215078140 g/mol
Topological Polar Surface Area (TPSA) 43.20 Ų
XlogP 5.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,2,6-trimethyl-N-[(2,2,6-trimethyl-3H-chromen-4-ylidene)amino]-3H-chromen-4-imine

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
CHEMBL240 Q12809 HERG 94.42% 89.76%
CHEMBL2581 P07339 Cathepsin D 93.42% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.35% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.23% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 89.03% 91.11%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 88.04% 93.40%
CHEMBL4208 P20618 Proteasome component C5 87.29% 90.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 86.96% 90.24%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.50% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.55% 89.00%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 82.46% 85.30%
CHEMBL5805 Q9NR97 Toll-like receptor 8 81.77% 96.25%
CHEMBL4803 P29474 Nitric-oxide synthase, endothelial 80.21% 86.00%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 637035
LOTUS LTS0216057
wikiData Q105095036