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Cycloartomunin

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 e1d93809-51a9-4a24-ad8f-0b714ca0f35e
Taxonomy Phenylpropanoids and polyketides > Flavonoids > Pyranoflavonoids
IUPAC Name 11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one
SMILES (Canonical) CC(=CC1C2=C(C3=CC(=C(C=C3O1)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C
SMILES (Isomeric) CC(=CC1C2=C(C3=CC(=C(C=C3O1)OC)O)OC4=C(C2=O)C(=CC5=C4C=CC(O5)(C)C)O)C
InChI InChI=1S/C26H24O7/c1-12(2)8-20-22-23(29)21-16(28)10-18-13(6-7-26(3,4)33-18)24(21)32-25(22)14-9-15(27)19(30-5)11-17(14)31-20/h6-11,20,27-28H,1-5H3
InChI Key WQSBCGFYYIWXHK-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C26H24O7
Molecular Weight 448.50 g/mol
Exact Mass 448.15220310 g/mol
Topological Polar Surface Area (TPSA) 94.40 Ų
XlogP 5.20

Synonyms

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CHEBI:178148
DTXSID701105933
LMPK12110916
135023-19-7
11,20-dihydroxy-19-methoxy-7,7-dimethyl-15-(2-methylprop-1-enyl)-2,8,16-trioxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,10,17,19,21-octaen-13-one
3H,7H,8H-Bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one, 6,12-dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-
6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one
6,12-Dihydroxy-11-methoxy-3,3-dimethyl-8-(2-methyl-1-propenyl)-3H,7H,8H-bis[1]benzopyrano[4,3-b:6',5'-e]pyran-7-one, 9CI

2D Structure

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2D Structure of Cycloartomunin

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 99.54% 91.11%
CHEMBL1806 P11388 DNA topoisomerase II alpha 96.19% 89.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.37% 94.45%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.66% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.14% 94.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.97% 96.09%
CHEMBL2581 P07339 Cathepsin D 89.96% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.52% 86.33%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.04% 99.23%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 86.42% 97.14%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.36% 95.89%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.78% 96.77%
CHEMBL340 P08684 Cytochrome P450 3A4 84.59% 91.19%
CHEMBL241 Q14432 Phosphodiesterase 3A 84.41% 92.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.57% 99.17%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.20% 92.62%
CHEMBL2413 P32246 C-C chemokine receptor type 1 83.12% 89.50%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 82.94% 94.42%
CHEMBL1902 P62942 FK506-binding protein 1A 82.80% 97.05%
CHEMBL3194 P02766 Transthyretin 81.89% 90.71%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 81.66% 98.11%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 81.01% 95.50%
CHEMBL2535 P11166 Glucose transporter 80.40% 98.75%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 80.07% 91.07%

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.
Artocarpus altilis

Cross-Links

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PubChem 10456312
LOTUS LTS0200926
wikiData Q105310936