Harzianumol G

Details

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Internal ID d5d7eb6d-c29d-43d1-94b8-db1fc608c7be
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Fatty alcohols > Long-chain fatty alcohols
IUPAC Name (2E,6R,7R,10E)-trideca-2,10,12-triene-1,6,7-triol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C13H22O3/c1-2-3-4-6-9-12(15)13(16)10-7-5-8-11-14/h2-5,8,12-16H,1,6-7,9-11H2/b4-3+,8-5+/t12-,13-/m1/s1
InChI Key MNXADTNACOINFR-HTJGUPIISA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C13H22O3
Molecular Weight 226.31 g/mol
Exact Mass 226.15689456 g/mol
Topological Polar Surface Area (TPSA) 60.70 Ų
XlogP 1.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Harzianumol G

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
CHEMBL203 P00533 Epidermal growth factor receptor erbB1 94.06% 97.34%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 87.36% 97.29%
CHEMBL3060 Q9Y345 Glycine transporter 2 83.74% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 81.23% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 80.80% 96.09%

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 139587746
LOTUS LTS0085756
wikiData Q77573137