Viburtinal

Details

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Internal ID 41e04d55-3825-4c1f-991e-c7f66b349600
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aldehydes > Aryl-aldehydes
IUPAC Name 4-methylcyclopenta[c]pyran-7-carbaldehyde
SMILES (Canonical) CC1=COC=C2C1=CC=C2C=O
SMILES (Isomeric) CC1=COC=C2C1=CC=C2C=O
InChI InChI=1S/C10H8O2/c1-7-5-12-6-10-8(4-11)2-3-9(7)10/h2-6H,1H3
InChI Key IHEBZQKYPSMVBZ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C10H8O2
Molecular Weight 160.17 g/mol
Exact Mass 160.052429494 g/mol
Topological Polar Surface Area (TPSA) 30.20 Ų
XlogP 1.80

Synonyms

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4-Methylcyclopenta[c]pyran-7-carbaldehyde
63661-79-0
Cyclopenta(c)pyran-7-carboxaldehyde, 4-methyl-
Cyclopenta[c]pyran-7-carboxaldehyde, 4-methyl-
4-Methyl-Cyclopenta(c)pyran-7-carboxaldehyde
4-Methyl-Cyclopenta[c]pyran-7-carboxaldehyde
DTXSID50213042
CHEBI:190770
IHEBZQKYPSMVBZ-UHFFFAOYSA-N
7-formyl-4-methylcyclopenta[c]pyran
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Viburtinal

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
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 97.17% 95.56%
CHEMBL3401 O75469 Pregnane X receptor 93.03% 94.73%
CHEMBL2581 P07339 Cathepsin D 91.98% 98.95%
CHEMBL3492 P49721 Proteasome Macropain subunit 91.06% 90.24%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 90.81% 98.11%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.10% 96.00%
CHEMBL1951 P21397 Monoamine oxidase A 85.06% 91.49%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.80% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.43% 89.00%

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.
Viburnum opulus

Cross-Links

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PubChem 594452
LOTUS LTS0043626
wikiData Q83088293