1,3,6,9-Nonadecatetraene, (3Z,6Z,9Z)-

Details

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Internal ID 45f825c3-0cb6-419b-a365-3ebc840ea119
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Olefins > Acyclic olefins > Alkatetraenes
IUPAC Name (3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H32/c1-3-5-7-9-11-13-15-17-19-18-16-14-12-10-8-6-4-2/h3,5,7,11,13,17,19H,1,4,6,8-10,12,14-16,18H2,2H3/b7-5-,13-11-,19-17-
InChI Key RDRCFYBWAIFESA-JTBMWNAQSA-N
Popularity 9 references in papers

Physical and Chemical Properties

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Molecular Formula C19H32
Molecular Weight 260.50 g/mol
Exact Mass 260.250401021 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 8.20

Synonyms

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(3Z,6Z,9Z)-nonadeca-1,3,6,9-tetraene
82970-94-3
RefChem:1052613
1,3Z,6Z,9Z-Nonadecatetraene
SCHEMBL593710
LMFA11000160
(z,z,z)-1,3,6,9-nonadecatetraene
AKOS015959089

2D Structure

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2D Structure of 1,3,6,9-Nonadecatetraene, (3Z,6Z,9Z)-

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
CHEMBL230 P35354 Cyclooxygenase-2 97.55% 89.63%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 94.81% 92.08%
CHEMBL2581 P07339 Cathepsin D 93.09% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.48% 99.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 90.20% 92.86%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 89.95% 85.94%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.46% 97.29%
CHEMBL239 Q07869 Peroxisome proliferator-activated receptor alpha 88.76% 90.75%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.65% 91.81%
CHEMBL2885 P07451 Carbonic anhydrase III 87.04% 87.45%
CHEMBL221 P23219 Cyclooxygenase-1 86.60% 90.17%
CHEMBL1907 P15144 Aminopeptidase N 83.23% 93.31%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.18% 96.09%
CHEMBL1781 P11387 DNA topoisomerase I 81.82% 97.00%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.46% 96.95%

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 6440707
LOTUS LTS0198496
wikiData Q76386758