Pentatriacont-1-en-17-ol

Details

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Internal ID 6739f1cb-1c7c-4260-bbc7-1c5d37b69333
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name pentatriacont-1-en-17-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C35H70O/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-35(36)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h4,35-36H,2-3,5-34H2,1H3
InChI Key CIGABSSITZRXBD-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C35H70O
Molecular Weight 506.90 g/mol
Exact Mass 506.54266685 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 16.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Pentatriacont-1-en-17-ol

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
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 96.16% 97.29%
CHEMBL2581 P07339 Cathepsin D 95.46% 98.95%
CHEMBL240 Q12809 HERG 94.70% 89.76%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 93.68% 92.86%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 93.13% 92.08%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 92.64% 85.94%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.82% 99.17%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.74% 96.09%
CHEMBL2885 P07451 Carbonic anhydrase III 90.61% 87.45%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 87.86% 91.81%
CHEMBL3359 P21462 Formyl peptide receptor 1 86.39% 93.56%
CHEMBL230 P35354 Cyclooxygenase-2 86.31% 89.63%
CHEMBL221 P23219 Cyclooxygenase-1 84.57% 90.17%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 84.33% 100.00%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 83.71% 85.40%
CHEMBL299 P17252 Protein kinase C alpha 83.53% 98.03%
CHEMBL1907 P15144 Aminopeptidase N 82.27% 93.31%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 81.52% 96.47%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.69% 89.34%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.62% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 80.12% 91.11%

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.
Mansoa alliacea

Cross-Links

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PubChem 14779583
LOTUS LTS0135345
wikiData Q104959735