Trideca-5,11-dien-7,9-diyne-3,4-diol

Details

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Internal ID 67865f46-ec5b-4696-8364-a451b3b3b81f
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols
IUPAC Name trideca-5,11-dien-7,9-diyne-3,4-diol
SMILES (Canonical) CCC(C(C=CC#CC#CC=CC)O)O
SMILES (Isomeric) CCC(C(C=CC#CC#CC=CC)O)O
InChI InChI=1S/C13H16O2/c1-3-5-6-7-8-9-10-11-13(15)12(14)4-2/h3,5,10-15H,4H2,1-2H3
InChI Key URMQBWJXOJNVHX-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C13H16O2
Molecular Weight 204.26 g/mol
Exact Mass 204.115029749 g/mol
Topological Polar Surface Area (TPSA) 40.50 Ų
XlogP 2.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Trideca-5,11-dien-7,9-diyne-3,4-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
CHEMBL4040 P28482 MAP kinase ERK2 92.33% 83.82%
CHEMBL2581 P07339 Cathepsin D 89.85% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.93% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 80.61% 99.17%
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!
To see more specific details click the taxa you are interested in.
Aethusa cynapium

Cross-Links

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PubChem 163034431
LOTUS LTS0076822
wikiData Q105277857