1,3-Benzodioxole-5-carboxaldehyde, 6,7-dimethoxy-

Details

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Internal ID f8c63d0b-b635-4f9b-827b-85318318de1f
Taxonomy Organoheterocyclic compounds > Benzodioxoles
IUPAC Name 6,7-dimethoxy-1,3-benzodioxole-5-carbaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H10O5/c1-12-8-6(4-11)3-7-9(10(8)13-2)15-5-14-7/h3-4H,5H2,1-2H3
InChI Key GWFYXQGVKQUWFF-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C10H10O5
Molecular Weight 210.18 g/mol
Exact Mass 210.05282342 g/mol
Topological Polar Surface Area (TPSA) 54.00 Ų
XlogP 1.10

Synonyms

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1,3-benzodioxole-5-carboxaldehyde, 6,7-dimethoxy-
6,7-dimethoxy-1,3-benzodioxole-5-carbaldehyde
1,3-Benzodioxole-5-carboxaldehyde,6,7-dimethoxy-
6,7-Dimethoxybenzo[d][1,3]dioxole-5-carbaldehyde
6,7-Dimethoxy-2H-1,3-benzodioxole-5-carbaldehyde
Dillapiole aldehyde
6,7-dimethoxy-2H-benzo[d]1,3-dioxolene-5-carbaldehyde
SCHEMBL30433465
DTXSID70946527
GWFYXQGVKQUWFF-UHFFFAOYSA-N
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 1,3-Benzodioxole-5-carboxaldehyde, 6,7-dimethoxy-

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
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 97.28% 96.77%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 94.75% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.64% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.11% 94.45%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 90.30% 98.11%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 89.15% 80.96%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.88% 86.33%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 87.92% 94.80%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.64% 96.00%
CHEMBL4208 P20618 Proteasome component C5 86.11% 90.00%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 85.11% 82.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.69% 96.09%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 83.11% 92.62%
CHEMBL3401 O75469 Pregnane X receptor 82.83% 94.73%

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.
Piper hispidum

Cross-Links

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PubChem 185549
LOTUS LTS0219572
wikiData Q82924129