(E)-9,10,12,13,14,15-hexahydroxytetracos-17-enoic acid

Details

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Internal ID 8d53872d-49cc-4726-937b-ab0707cd84c8
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty acids and conjugates > Very long-chain fatty acids
IUPAC Name (E)-9,10,12,13,14,15-hexahydroxytetracos-17-enoic acid
SMILES (Canonical) CCCCCCC=CCC(C(C(C(CC(C(CCCCCCCC(=O)O)O)O)O)O)O)O
SMILES (Isomeric) CCCCCC/C=C/CC(C(C(C(CC(C(CCCCCCCC(=O)O)O)O)O)O)O)O
InChI InChI=1S/C24H46O8/c1-2-3-4-5-6-8-12-15-19(26)23(31)24(32)21(28)17-20(27)18(25)14-11-9-7-10-13-16-22(29)30/h8,12,18-21,23-28,31-32H,2-7,9-11,13-17H2,1H3,(H,29,30)/b12-8+
InChI Key OXQUMQFOBXAJSP-XYOKQWHBSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H46O8
Molecular Weight 462.60 g/mol
Exact Mass 462.31926842 g/mol
Topological Polar Surface Area (TPSA) 159.00 Ų
XlogP 3.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (E)-9,10,12,13,14,15-hexahydroxytetracos-17-enoic acid

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 98.51% 99.17%
CHEMBL2581 P07339 Cathepsin D 98.17% 98.95%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 95.54% 85.94%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.26% 96.09%
CHEMBL230 P35354 Cyclooxygenase-2 93.11% 89.63%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 92.63% 97.29%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 92.53% 92.08%
CHEMBL3359 P21462 Formyl peptide receptor 1 92.14% 93.56%
CHEMBL1781 P11387 DNA topoisomerase I 91.38% 97.00%
CHEMBL221 P23219 Cyclooxygenase-1 90.86% 90.17%
CHEMBL4227 P25090 Lipoxin A4 receptor 89.61% 100.00%
CHEMBL2001 Q9H244 Purinergic receptor P2Y12 89.05% 96.00%
CHEMBL5285 Q99683 Mitogen-activated protein kinase kinase kinase 5 87.31% 92.26%
CHEMBL1907 P15144 Aminopeptidase N 87.14% 93.31%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 86.08% 96.47%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 85.09% 100.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.83% 91.11%
CHEMBL2274 Q9H228 Sphingosine 1-phosphate receptor Edg-8 82.98% 100.00%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 82.28% 97.34%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.77% 96.00%
CHEMBL5255 O00206 Toll-like receptor 4 81.15% 92.50%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 80.90% 91.81%

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 146682616
LOTUS LTS0098126
wikiData Q105202890