2,4-Dihydroxy-6-methoxy-12-methyl-11,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6,12-tetraene-9,14-dione

Details

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Internal ID 5c3ca0e7-da9d-4330-9af9-b205df2fa94b
Taxonomy Organoheterocyclic compounds > Naphthopyrans > Naphthopyranones
IUPAC Name 2,4-dihydroxy-6-methoxy-12-methyl-11,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6,12-tetraene-9,14-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H12O7/c1-6-3-10(17)14-13(19)11-8(4-7(20-2)5-9(11)16)12(18)15(14,21-6)22-14/h3-5,13,16,19H,1-2H3
InChI Key KEIJFRPZODFUBZ-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H12O7
Molecular Weight 304.25 g/mol
Exact Mass 304.05830272 g/mol
Topological Polar Surface Area (TPSA) 106.00 Ų
XlogP -0.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,4-Dihydroxy-6-methoxy-12-methyl-11,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3(8),4,6,12-tetraene-9,14-dione

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
CHEMBL4040 P28482 MAP kinase ERK2 98.53% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 97.31% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.87% 95.56%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 94.22% 99.15%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 91.34% 85.14%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 91.00% 94.00%
CHEMBL4208 P20618 Proteasome component C5 90.12% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 88.31% 89.00%
CHEMBL2581 P07339 Cathepsin D 88.28% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 87.12% 99.23%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 84.60% 91.07%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.85% 97.14%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.95% 90.71%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.81% 92.94%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 82.29% 93.40%
CHEMBL3401 O75469 Pregnane X receptor 81.02% 94.73%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.77% 97.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.51% 99.17%

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 163066034
LOTUS LTS0107488
wikiData Q104170214