2-Hepta-3,5-dienyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde

Details

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Internal ID 7b459583-1d86-449e-ab21-6ecff30e0aae
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Quinone and hydroquinone lipids > Prenylated hydroquinones
IUPAC Name 2-hepta-3,5-dienyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H24O3/c1-4-5-6-7-8-9-16-17(13-20)19(22)15(12-18(16)21)11-10-14(2)3/h4-7,10,12-13,21-22H,8-9,11H2,1-3H3
InChI Key ZNSOEVHEUKFQSM-UHFFFAOYSA-N
Popularity 7 references in papers

Physical and Chemical Properties

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Molecular Formula C19H24O3
Molecular Weight 300.40 g/mol
Exact Mass 300.17254462 g/mol
Topological Polar Surface Area (TPSA) 57.50 Ų
XlogP 5.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Hepta-3,5-dienyl-3,6-dihydroxy-5-(3-methylbut-2-enyl)benzaldehyde

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 97.64% 98.11%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.58% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.64% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 93.59% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.03% 95.56%
CHEMBL1937 Q92769 Histone deacetylase 2 85.10% 94.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.29% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 82.73% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.45% 96.09%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.70% 96.00%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 81.47% 83.57%

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 72730313
LOTUS LTS0042660
wikiData Q105380190