Heptatriaconta-15,22-diene

Details

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Internal ID 97dc7418-9aac-431b-8e33-f20dc79f0735
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Olefins > Acyclic olefins > Alkadienes
IUPAC Name heptatriaconta-15,22-diene
SMILES (Canonical) CCCCCCCCCCCCCCC=CCCCCCC=CCCCCCCCCCCCCCC
SMILES (Isomeric) CCCCCCCCCCCCCCC=CCCCCCC=CCCCCCCCCCCCCCC
InChI InChI=1S/C37H72/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-32H,3-28,33-37H2,1-2H3
InChI Key IMWAMOURGSNXMV-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C37H72
Molecular Weight 517.00 g/mol
Exact Mass 516.56340230 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 18.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Heptatriaconta-15,22-diene

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
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.10% 92.08%
CHEMBL230 P35354 Cyclooxygenase-2 94.83% 89.63%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.32% 99.17%
CHEMBL2955 O95136 Sphingosine 1-phosphate receptor Edg-5 91.91% 92.86%
CHEMBL2581 P07339 Cathepsin D 90.50% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 89.29% 97.29%
CHEMBL5043 Q6P179 Endoplasmic reticulum aminopeptidase 2 88.77% 91.81%
CHEMBL2265 P23141 Acyl coenzyme A:cholesterol acyltransferase 86.15% 85.94%
CHEMBL2885 P07451 Carbonic anhydrase III 84.92% 87.45%
CHEMBL1781 P11387 DNA topoisomerase I 84.48% 97.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.58% 96.09%
CHEMBL1907 P15144 Aminopeptidase N 81.78% 93.31%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 81.08% 96.95%
CHEMBL221 P23219 Cyclooxygenase-1 80.59% 90.17%

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 162964100
LOTUS LTS0080576
wikiData Q105115960