1-(4,7-Dihydroxy-10-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8(13),9,11-hexaen-2-yl)ethanone

Details

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Internal ID 6bb41074-b22e-4d94-98aa-929624540a87
Taxonomy Organoheterocyclic compounds > Benzofurans > Dibenzofurans
IUPAC Name 1-(4,7-dihydroxy-10-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8(13),9,11-hexaen-2-yl)ethanone
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H12O6/c1-6(17)8-5-10(18)15-13-12-9(16(19)22-15)3-7(20-2)4-11(12)21-14(8)13/h3-5,16,18-19H,1-2H3
InChI Key LDYUGSMSWWYPGX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C16H12O6
Molecular Weight 300.26 g/mol
Exact Mass 300.06338810 g/mol
Topological Polar Surface Area (TPSA) 89.10 Ų
XlogP 2.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-(4,7-Dihydroxy-10-methoxy-6,15-dioxatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,8(13),9,11-hexaen-2-yl)ethanone

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 98.40% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.66% 85.14%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.96% 94.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.06% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.12% 99.17%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 87.85% 99.15%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.83% 99.23%
CHEMBL340 P08684 Cytochrome P450 3A4 86.09% 91.19%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.02% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 85.20% 94.73%
CHEMBL2535 P11166 Glucose transporter 85.07% 98.75%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 84.50% 94.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.19% 89.00%
CHEMBL2581 P07339 Cathepsin D 81.53% 98.95%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 80.06% 94.42%

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 162958477
LOTUS LTS0074129
wikiData Q104170857