Triaconta-4,15,26-trien-1,29-diyne-3,28-diol

Details

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Internal ID 918b5176-f05c-400d-b97c-4a481f8f8d08
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name triaconta-4,15,26-trien-1,29-diyne-3,28-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C30H48O2/c1-3-29(31)27-25-23-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-24-26-28-30(32)4-2/h1-2,5-6,25-32H,7-24H2
InChI Key XFALGIQXDHGEPT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C30H48O2
Molecular Weight 440.70 g/mol
Exact Mass 440.365430770 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 9.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Triaconta-4,15,26-trien-1,29-diyne-3,28-diol

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
CHEMBL3060 Q9Y345 Glycine transporter 2 91.23% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.03% 91.11%
CHEMBL3975 P09467 Fructose-1,6-bisphosphatase 90.46% 92.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.92% 96.09%
CHEMBL2581 P07339 Cathepsin D 85.04% 98.95%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.56% 97.29%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.63% 97.21%
CHEMBL6136 O60341 Lysine-specific histone demethylase 1 81.10% 95.58%

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 364239
LOTUS LTS0093505
wikiData Q105326882