4-Isopropyl salicylaldehyde

Details

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Internal ID 34d94dfe-94ad-420f-ab31-3d6b46308457
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Aromatic monoterpenoids
IUPAC Name 2-hydroxy-4-propan-2-ylbenzaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C10H12O2/c1-7(2)8-3-4-9(6-11)10(12)5-8/h3-7,12H,1-2H3
InChI Key NSLDZVUVKUIYNL-UHFFFAOYSA-N
Popularity 8 references in papers

Physical and Chemical Properties

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Molecular Formula C10H12O2
Molecular Weight 164.20 g/mol
Exact Mass 164.083729621 g/mol
Topological Polar Surface Area (TPSA) 37.30 Ų
XlogP 2.70

Synonyms

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536-32-3
2-HYDROXY-4-ISOPROPYLBENZALDEHYDE
2-hydroxy-4-propan-2-ylbenzaldehyde
4-isopropyl salicylaldehyde
CHEMBL353354
MFCD16997144
CHAMAECIN
SCHEMBL676459
2-Hydroxy-4-isopropyl-benzaldehyde
AC1611
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 4-Isopropyl salicylaldehyde

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
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 96.34% 98.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 96.09% 95.56%
CHEMBL2581 P07339 Cathepsin D 94.93% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.35% 91.11%
CHEMBL4208 P20618 Proteasome component C5 91.74% 90.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 89.40% 93.40%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 88.30% 99.15%
CHEMBL3401 O75469 Pregnane X receptor 87.49% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.83% 96.09%
CHEMBL3492 P49721 Proteasome Macropain subunit 85.81% 90.24%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.99% 94.45%
CHEMBL3194 P02766 Transthyretin 84.37% 90.71%
CHEMBL1951 P21397 Monoamine oxidase A 83.90% 91.49%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.37% 90.71%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 81.63% 100.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.80% 96.00%
CHEMBL2535 P11166 Glucose transporter 80.21% 98.75%

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.
Thujopsis dolabrata

Cross-Links

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PubChem 10149024
LOTUS LTS0075636
wikiData Q67879611