Henicosa-3,18-dien-1,8,10,20-tetrayne

Details

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Internal ID 320f91c1-ce09-4736-8188-6f707f590dc3
Taxonomy Hydrocarbons > Unsaturated hydrocarbons > Enynes
IUPAC Name henicosa-3,18-dien-1,8,10,20-tetrayne
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H24/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h1-2,5-8H,9-15,17,19H2
InChI Key JLMGIKDCGVHZJL-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C21H24
Molecular Weight 276.40 g/mol
Exact Mass 276.187800766 g/mol
Topological Polar Surface Area (TPSA) 0.00 Ų
XlogP 6.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Henicosa-3,18-dien-1,8,10,20-tetrayne

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
CHEMBL221 P23219 Cyclooxygenase-1 89.54% 90.17%
CHEMBL230 P35354 Cyclooxygenase-2 88.14% 89.63%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.30% 99.17%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.82% 96.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 82.82% 91.11%
CHEMBL3975 P09467 Fructose-1,6-bisphosphatase 82.20% 92.95%

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 85214374
LOTUS LTS0057739
wikiData Q105130895