1-Methyl-4-(6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl)cyclohexene

Details

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Internal ID 72b2a66f-fe68-4dd1-966e-f5b0e37e60cf
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids
IUPAC Name 1-methyl-4-(6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl)cyclohexene
SMILES (Canonical) CC1=CCC(CC1)C(=C)CCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
SMILES (Isomeric) CC1=CCC(CC1)C(=C)CCC=C(C)CCCC(C)CCCC(C)CCCC(C)CCCC(C)C
InChI InChI=1S/C35H64/c1-28(2)14-9-15-29(3)16-10-17-30(4)18-11-19-31(5)20-12-21-32(6)22-13-23-34(8)35-26-24-33(7)25-27-35/h22,24,28-31,35H,8-21,23,25-27H2,1-7H3
InChI Key HYJZKCOWAKHVCB-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C35H64
Molecular Weight 484.90 g/mol
Exact Mass 484.500802041 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 14.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 1-Methyl-4-(6,10,14,18,22-pentamethyltricosa-1,5-dien-2-yl)cyclohexene

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.46% 91.11%
CHEMBL2581 P07339 Cathepsin D 93.75% 98.95%
CHEMBL3359 P21462 Formyl peptide receptor 1 91.82% 93.56%
CHEMBL2039 P27338 Monoamine oxidase B 89.64% 92.51%
CHEMBL253 P34972 Cannabinoid CB2 receptor 89.42% 97.25%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 89.29% 90.71%
CHEMBL3401 O75469 Pregnane X receptor 88.70% 94.73%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 88.15% 95.89%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.90% 96.09%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 85.90% 97.21%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 85.13% 96.47%
CHEMBL4227 P25090 Lipoxin A4 receptor 83.89% 100.00%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.84% 95.56%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.40% 99.17%
CHEMBL4581 P52732 Kinesin-like protein 1 82.97% 93.18%
CHEMBL1994 P08235 Mineralocorticoid receptor 81.49% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.39% 97.09%
CHEMBL1795139 Q8IU80 Transmembrane protease serine 6 80.13% 98.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.04% 95.89%

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 74392093
LOTUS LTS0133863
wikiData Q105035344