Cytoglobosin H

Details

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Internal ID 3846f439-1408-4fe9-983d-2eb41c2227d7
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
IUPAC Name (1R,5R,7E,9S,11E,13R,14S,15S,16S,17R,18S)-5,14,15-trihydroxy-18-(1H-indol-3-ylmethyl)-7,9,15,16-tetramethyl-19-azatricyclo[11.7.0.01,17]icosa-7,11-diene-2,6,20-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H40N2O6/c1-17-8-7-10-22-29(38)31(4,40)19(3)27-24(15-20-16-33-23-11-6-5-9-21(20)23)34-30(39)32(22,27)26(36)13-12-25(35)28(37)18(2)14-17/h5-7,9-11,14,16-17,19,22,24-25,27,29,33,35,38,40H,8,12-13,15H2,1-4H3,(H,34,39)/b10-7+,18-14+/t17-,19-,22-,24-,25+,27-,29-,31-,32+/m0/s1
InChI Key RDGPYVKATNNNKN-XFIHXNSPSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C32H40N2O6
Molecular Weight 548.70 g/mol
Exact Mass 548.28863700 g/mol
Topological Polar Surface Area (TPSA) 140.00 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Cytoglobosin H

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.29% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.53% 95.56%
CHEMBL2581 P07339 Cathepsin D 96.18% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 94.64% 94.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.90% 96.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 93.41% 99.23%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.60% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 92.48% 93.99%
CHEMBL3310 Q96DB2 Histone deacetylase 11 91.94% 88.56%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 91.34% 92.62%
CHEMBL213 P08588 Beta-1 adrenergic receptor 90.47% 95.56%
CHEMBL3137262 O60341 LSD1/CoREST complex 89.86% 97.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 89.51% 89.00%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 89.24% 93.03%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 89.22% 85.14%
CHEMBL2095226 P05556 Integrin alpha-5/beta-1 88.85% 96.39%
CHEMBL2693 Q9UIQ6 Cystinyl aminopeptidase 88.50% 97.64%
CHEMBL1994 P08235 Mineralocorticoid receptor 86.16% 100.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.10% 86.33%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.80% 92.94%
CHEMBL2996 Q05655 Protein kinase C delta 84.02% 97.79%
CHEMBL2959 Q08881 Tyrosine-protein kinase ITK/TSK 83.85% 95.00%
CHEMBL217 P14416 Dopamine D2 receptor 82.52% 95.62%
CHEMBL5805 Q9NR97 Toll-like receptor 8 81.99% 96.25%

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 139590411
LOTUS LTS0222051
wikiData Q105234210