10-Ethenyl-2,3,7,10,13,16,20,21-octamethyl-6,17-dimethylidenedocosa-1,11,19-triene

Details

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Internal ID 515b3bf2-ccc5-46b9-ae73-7a2493521421
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Triterpenoids
IUPAC Name 10-ethenyl-2,3,7,10,13,16,20,21-octamethyl-6,17-dimethylidenedocosa-1,11,19-triene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C34H58/c1-14-34(13,24-22-33(12)32(11)20-18-29(8)26(4)5)23-21-27(6)15-16-30(9)31(10)19-17-28(7)25(2)3/h14,17,21,23,25,27,29-30,33H,1,4,10-11,15-16,18-20,22,24H2,2-3,5-9,12-13H3
InChI Key ZYBDFTCDDVBEBH-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C34H58
Molecular Weight 466.80 g/mol
Exact Mass 466.453851850 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 14.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 10-Ethenyl-2,3,7,10,13,16,20,21-octamethyl-6,17-dimethylidenedocosa-1,11,19-triene

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
CHEMBL4040 P28482 MAP kinase ERK2 98.39% 83.82%
CHEMBL253 P34972 Cannabinoid CB2 receptor 97.01% 97.25%
CHEMBL2581 P07339 Cathepsin D 95.47% 98.95%
CHEMBL2885 P07451 Carbonic anhydrase III 92.34% 87.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.52% 96.09%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 88.64% 96.47%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 86.82% 91.11%
CHEMBL1744525 P43490 Nicotinamide phosphoribosyltransferase 83.30% 96.25%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.68% 94.45%
CHEMBL2815 P04629 Nerve growth factor receptor Trk-A 80.46% 87.16%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 80.05% 98.75%

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 163018719
LOTUS LTS0029269
wikiData Q105385974