1,6,9,12,15-Heneicosapentaene

Details

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Internal ID f97bf8d5-1dda-453e-90c3-9d17235f213d
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Unsaturated aliphatic hydrocarbons
IUPAC Name henicosa-1,6,9,12,15-pentaene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H34/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3,11-14,17-20H,1,4-10,15-16,21H2,2H3
InChI Key WMMKRRHSYGLRHN-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C21H34
Molecular Weight 286.50 g/mol
Exact Mass 286.266051085 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 8.10

Synonyms

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1,6,9,12,15-Heneicosapentaene

2D Structure

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2D Structure of 1,6,9,12,15-Heneicosapentaene

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 93.39% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 91.56% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 90.79% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 87.93% 89.63%
CHEMBL240 Q12809 HERG 86.22% 89.76%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 86.21% 90.75%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 85.50% 91.81%
CHEMBL242 Q92731 Estrogen receptor beta 85.31% 98.35%
CHEMBL221 P23219 Cyclooxygenase-1 82.06% 90.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.92% 86.33%
CHEMBL1781 P11387 DNA topoisomerase I 80.91% 97.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.61% 96.09%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
There are no matching plants.

Cross-Links

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PubChem 54438601
LOTUS LTS0082790
wikiData Q105308667