(E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene

Details

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Internal ID 44f96aef-6985-4923-b2a2-1e380763d080
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesterterpenoids
IUPAC Name (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H46/c1-9-22(6)16-18-25(24(8)15-11-13-21(4)5)19-17-23(7)14-10-12-20(2)3/h9,17,20-22,25H,1,8,10-16,18-19H2,2-7H3/b23-17+/t22-,25+/m0/s1
InChI Key BSXYLMVBPPIDSG-VURWIQAASA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C25H46
Molecular Weight 346.60 g/mol
Exact Mass 346.359951467 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 10.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (E,9R)-2,6,14-trimethyl-10-methylidene-9-[(3R)-3-methylpent-4-enyl]pentadec-6-ene

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 91.56% 98.95%
CHEMBL2885 P07451 Carbonic anhydrase III 91.13% 87.45%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.72% 96.09%
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 88.19% 97.34%
CHEMBL3401 O75469 Pregnane X receptor 85.76% 94.73%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.06% 97.29%
CHEMBL3359 P21462 Formyl peptide receptor 1 83.50% 93.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.31% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.18% 91.11%
CHEMBL283 P08254 Matrix metalloproteinase 3 80.83% 97.29%

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 101024689
LOTUS LTS0085247
wikiData Q104945460