8-Heptadecenylene

Details

Top
Internal ID cf1fc185-1ff9-4f5f-912e-254ac2894dc7
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Olefins > Acyclic olefins > Alkadienes
IUPAC Name heptadeca-1,8-diene
SMILES (Canonical) CCCCCCCCC=CCCCCCC=C
SMILES (Isomeric) CCCCCCCCC=CCCCCCC=C
InChI InChI=1S/C17H32/c1-3-5-7-9-11-13-15-17-16-14-12-10-8-6-4-2/h3,15,17H,1,4-14,16H2,2H3
InChI Key ZCNSOBXQEHNQMJ-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

Top
Molecular Formula C17H32
Molecular Weight 236.40 g/mol
Exact Mass 236.250401021 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 8.50

Synonyms

Top
56134-02-2
DTXSID40336178

2D Structure

Top
2D Structure of 8-Heptadecenylene

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 95.47% 92.08%
CHEMBL240 Q12809 HERG 93.74% 89.76%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.32% 99.17%
CHEMBL230 P35354 Cyclooxygenase-2 91.97% 89.63%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 90.10% 92.86%
CHEMBL2581 P07339 Cathepsin D 90.02% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 90.00% 97.29%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 89.54% 85.94%
CHEMBL5979 P05186 Alkaline phosphatase, tissue-nonspecific isozyme 88.96% 85.40%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.77% 91.81%
CHEMBL2885 P07451 Carbonic anhydrase III 87.83% 87.45%
CHEMBL221 P23219 Cyclooxygenase-1 84.47% 90.17%
CHEMBL1781 P11387 DNA topoisomerase I 83.76% 97.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.65% 96.09%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.18% 96.95%
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 80.82% 89.34%
CHEMBL1907 P15144 Aminopeptidase N 80.71% 93.31%
CHEMBL242 Q92731 Estrogen receptor beta 80.62% 98.35%

Plants that contains it

Top
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.
Balsamorhiza sagittata
Centaurea scabiosa
Cirsium helenioides
Cirsium japonicum

Cross-Links

Top
PubChem 529542
LOTUS LTS0197596
wikiData Q82103097