4,6,8,10,12,14,16,18,20,22-Decamethoxy-23-methylnonacosa-1,23-diene

Details

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Internal ID b5147d8d-3097-4d72-b45d-a73184d3f293
Taxonomy Organic oxygen compounds > Organooxygen compounds > Ethers > Dialkyl ethers
IUPAC Name 4,6,8,10,12,14,16,18,20,22-decamethoxy-23-methylnonacosa-1,23-diene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C40H78O10/c1-14-16-17-18-20-30(3)40(50-13)29-39(49-12)28-38(48-11)27-37(47-10)26-36(46-9)25-35(45-8)24-34(44-7)23-33(43-6)22-32(42-5)21-31(41-4)19-15-2/h15,20,31-40H,2,14,16-19,21-29H2,1,3-13H3
InChI Key VVKGWBVDEPOQKN-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C40H78O10
Molecular Weight 719.00 g/mol
Exact Mass 718.55949868 g/mol
Topological Polar Surface Area (TPSA) 92.30 Ų
XlogP 7.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4,6,8,10,12,14,16,18,20,22-Decamethoxy-23-methylnonacosa-1,23-diene

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 94.91% 99.17%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 94.25% 97.21%
CHEMBL2581 P07339 Cathepsin D 94.19% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.85% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 93.22% 91.11%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 92.96% 96.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.52% 97.29%
CHEMBL2885 P07451 Carbonic anhydrase III 90.09% 87.45%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 87.35% 92.86%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 86.22% 94.45%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 85.86% 100.00%
CHEMBL299 P17252 Protein kinase C alpha 84.74% 98.03%
CHEMBL1951 P21397 Monoamine oxidase A 84.63% 91.49%
CHEMBL2996 Q05655 Protein kinase C delta 84.24% 97.79%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 83.02% 92.29%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 82.30% 95.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 81.21% 92.08%
CHEMBL3359 P21462 Formyl peptide receptor 1 80.38% 93.56%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 80.12% 96.00%

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 85118092
LOTUS LTS0151065
wikiData Q105297704