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Conosilane A

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 fd637bbb-ff4d-4a48-8051-b0d3f83289e4
Taxonomy Organoheterocyclic compounds > Furofurans
IUPAC Name (1S,9S,12S)-5,5-dimethyl-11,13-dioxatetracyclo[7.6.0.01,12.02,7]pentadec-2(7)-ene-3,8,14-trione
SMILES (Canonical) CC1(CC2=C(C(=O)C1)C34CC(=O)OC3OCC4C2=O)C
SMILES (Isomeric) CC1(CC2=C(C(=O)C1)[C@@]34CC(=O)O[C@@H]3OC[C@H]4C2=O)C
InChI InChI=1S/C15H16O5/c1-14(2)3-7-11(9(16)4-14)15-5-10(17)20-13(15)19-6-8(15)12(7)18/h8,13H,3-6H2,1-2H3/t8-,13-,15-/m0/s1
InChI Key KUZQNRUYIPMTLI-IIRLODAESA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C15H16O5
Molecular Weight 276.28 g/mol
Exact Mass 276.09977361 g/mol
Topological Polar Surface Area (TPSA) 69.70 Ų
XlogP 0.40

Synonyms

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(1S,9S,12S)-5,5-dimethyl-11,13-dioxatetracyclo[7.6.0.01,12.02,7]pentadec-2(7)-ene-3,8,14-trione
(1S,9S,12S)-5,5-dimethyl-11,13-dioxatetracyclo(7.6.0.01,12.02,7)pentadec-2(7)-ene-3,8,14-trione
RefChem:127798
CHEBI:203498

2D Structure

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2D Structure of Conosilane A

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
CHEMBL221 P23219 Cyclooxygenase-1 95.50% 90.17%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 94.90% 96.77%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.19% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.68% 97.09%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 87.61% 96.38%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.31% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.84% 99.23%
CHEMBL2581 P07339 Cathepsin D 83.25% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 82.84% 97.25%
CHEMBL1806 P11388 DNA topoisomerase II alpha 82.83% 89.00%
CHEMBL1937 Q92769 Histone deacetylase 2 81.48% 94.75%
CHEMBL1994 P08235 Mineralocorticoid receptor 80.74% 100.00%
CHEMBL2850 P49840 Glycogen synthase kinase-3 alpha 80.65% 88.84%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.62% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.09% 96.09%

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.
There are no matching plants.

Cross-Links

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PubChem 71475333
LOTUS LTS0097061
wikiData Q77378190