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Fluoroindolocarbazole C

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 1491ed68-dd81-42ac-89e0-9a21cfeb6abc
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Carbazoles > Pyrrolocarbazoles > Indolocarbazoles
IUPAC Name 7,19-difluoro-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H19F2N3O7/c27-8-1-3-12-10(5-8)15-17-18(25(37)30-24(17)36)16-11-6-9(28)2-4-13(11)31(20(16)19(15)29-12)26-23(35)22(34)21(33)14(7-32)38-26/h1-6,14,21-23,26,29,32-35H,7H2,(H,30,36,37)/t14-,21-,22+,23-,26-/m1/s1
InChI Key YQUUXCMYRDQFPL-QCUUGYDUSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C26H19F2N3O7
Molecular Weight 523.40 g/mol
Exact Mass 523.11910628 g/mol
Topological Polar Surface Area (TPSA) 157.00 Ų
XlogP 1.60

Synonyms

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SCHEMBL6727359
7,19-Difluoro-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17(22),18,20-nonaene-12,14-dione

2D Structure

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2D Structure of Fluoroindolocarbazole C

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 98.78% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.07% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.25% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.52% 89.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 95.90% 86.92%
CHEMBL2581 P07339 Cathepsin D 95.83% 98.95%
CHEMBL1781 P11387 DNA topoisomerase I 93.98% 97.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.76% 93.99%
CHEMBL218 P21554 Cannabinoid CB1 receptor 92.59% 96.61%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 92.56% 85.49%
CHEMBL2815 P04629 Nerve growth factor receptor Trk-A 92.39% 87.16%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.33% 94.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.08% 95.56%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 91.96% 91.71%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 90.16% 93.04%
CHEMBL255 P29275 Adenosine A2b receptor 90.00% 98.59%
CHEMBL2563 Q9UQL6 Histone deacetylase 5 89.78% 89.67%
CHEMBL2292 Q13627 Dual-specificity tyrosine-phosphorylation regulated kinase 1A 89.66% 93.24%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 89.10% 89.44%
CHEMBL213 P08588 Beta-1 adrenergic receptor 88.34% 95.56%
CHEMBL5608 Q16288 NT-3 growth factor receptor 87.58% 95.89%
CHEMBL3384 Q16512 Protein kinase N1 87.02% 80.71%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.06% 100.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 84.97% 89.62%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 84.35% 85.11%
CHEMBL1937 Q92769 Histone deacetylase 2 84.25% 94.75%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 83.26% 93.03%
CHEMBL4530 P00488 Coagulation factor XIII 83.14% 96.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.78% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 81.35% 97.25%
CHEMBL5896 O75164 Lysine-specific demethylase 4A 80.54% 99.09%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 80.42% 81.14%

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 9984253
LOTUS LTS0226476
wikiData Q105352587