Hypsiziprenol-AA13

Details

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Internal ID a9902711-8226-4833-bc46-7733685935ae
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Polyterpenoids
IUPAC Name (6E)-3,7,11,15,19,23,27,31,35,39,43,47,51-tridecamethyldopentaconta-1,6,50-triene-3,10,11,15,19,23,27,31,35,39,43,47-dodecol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C65H126O12/c1-16-55(5,67)32-18-29-53(4)30-31-54(66)65(15,77)51-27-50-64(14,76)49-26-48-63(13,75)47-25-46-62(12,74)45-24-44-61(11,73)43-23-42-60(10,72)41-22-40-59(9,71)39-21-38-58(8,70)37-20-36-57(7,69)35-19-34-56(6,68)33-17-28-52(2)3/h16,28-29,54,66-77H,1,17-27,30-51H2,2-15H3/b53-29+
InChI Key BHOKARMPSWNIEZ-JHYFMFTFSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C65H126O12
Molecular Weight 1099.70 g/mol
Exact Mass 1098.92492945 g/mol
Topological Polar Surface Area (TPSA) 243.00 Ų
XlogP 10.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Hypsiziprenol-AA13

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
CHEMBL2581 P07339 Cathepsin D 94.63% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 93.10% 94.73%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.97% 92.08%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 88.88% 97.21%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 87.49% 96.90%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.48% 96.09%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.87% 96.47%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.65% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.28% 99.17%
CHEMBL3359 P21462 Formyl peptide receptor 1 82.34% 93.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 82.09% 85.14%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 80.73% 98.75%
CHEMBL5966 P55899 IgG receptor FcRn large subunit p51 80.36% 90.93%

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 10653751
LOTUS LTS0071062
wikiData Q77369842