Waraterpol

Details

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Internal ID 21b9ed98-71c9-4cf2-ab7b-bee6b1cf033c
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 6-[2-hydroxy-4-(hydroxymethyl)phenyl]-2-methylheptane-1,6-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C15H24O4/c1-11(9-16)4-3-7-15(2,19)13-6-5-12(10-17)8-14(13)18/h5-6,8,11,16-19H,3-4,7,9-10H2,1-2H3
InChI Key GLOLSSXWFHDYIK-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C15H24O4
Molecular Weight 268.35 g/mol
Exact Mass 268.16745924 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 1.80

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Waraterpol

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
CHEMBL2581 P07339 Cathepsin D 98.09% 98.95%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 93.83% 97.23%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.24% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 90.75% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 90.48% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 87.01% 99.17%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 86.90% 97.29%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 86.09% 100.00%
CHEMBL3492 P49721 Proteasome Macropain subunit 84.89% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.17% 95.56%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 81.09% 97.88%
CHEMBL1951 P21397 Monoamine oxidase A 80.98% 91.49%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.49% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.35% 94.45%
CHEMBL3524 P56524 Histone deacetylase 4 80.32% 92.97%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.10% 86.33%

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 21635171
LOTUS LTS0134057
wikiData Q77484720