2-Tridecylnonadec-2-enal

Details

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Internal ID 205aa2b8-5b7c-41ba-9880-bfe43d9c7d0b
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty aldehydes
IUPAC Name 2-tridecylnonadec-2-enal
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C32H62O/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-32(31-33)29-27-25-23-21-19-14-12-10-8-6-4-2/h30-31H,3-29H2,1-2H3
InChI Key YATMVCAGKFBFQY-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C32H62O
Molecular Weight 462.80 g/mol
Exact Mass 462.480066597 g/mol
Topological Polar Surface Area (TPSA) 17.10 Ų
XlogP 15.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Tridecylnonadec-2-enal

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
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.07% 92.08%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.88% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 93.71% 89.63%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 90.52% 85.94%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.45% 97.29%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 89.44% 92.86%
CHEMBL2581 P07339 Cathepsin D 87.32% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 85.58% 94.73%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 82.75% 89.34%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 81.64% 91.81%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 81.09% 95.56%

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 85989835
LOTUS LTS0195281
wikiData Q104201521