2-Pentadeca-6,9-dienylnonadeca-2,10,13-trienal

Details

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Internal ID 3d057a12-0a39-4508-863a-7e05e35c71c8
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
IUPAC Name 2-pentadeca-6,9-dienylnonadeca-2,10,13-trienal
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C34H58O/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-34(33-35)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h11-14,17-19,21,32-33H,3-10,15-16,20,22-31H2,1-2H3
InChI Key HMUAHONCSYYFES-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C34H58O
Molecular Weight 482.80 g/mol
Exact Mass 482.448766469 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 13.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Pentadeca-6,9-dienylnonadeca-2,10,13-trienal

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
CHEMBL3060 Q9Y345 Glycine transporter 2 96.78% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.98% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 94.83% 89.63%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.88% 85.94%
CHEMBL2581 P07339 Cathepsin D 89.83% 98.95%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 88.01% 92.86%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.19% 97.29%
CHEMBL3401 O75469 Pregnane X receptor 86.04% 94.73%
CHEMBL1781 P11387 DNA topoisomerase I 85.46% 97.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.16% 95.56%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 80.78% 90.75%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 80.65% 91.81%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.35% 89.34%

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 163088084
LOTUS LTS0071426
wikiData Q105343140