(-)-8-Hydroxyjasmonic acid

Details

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Internal ID a71a165f-f8ea-4011-a753-01011657a1a2
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives > Jasmonic acids
IUPAC Name 2-[(1R,2S)-2-[(Z)-1-hydroxypent-2-enyl]-3-oxocyclopentyl]acetic acid
SMILES (Canonical) CCC=CC(C1C(CCC1=O)CC(=O)O)O
SMILES (Isomeric) CC/C=C\C([C@@H]1[C@H](CCC1=O)CC(=O)O)O
InChI InChI=1S/C12H18O4/c1-2-3-4-9(13)12-8(7-11(15)16)5-6-10(12)14/h3-4,8-9,12-13H,2,5-7H2,1H3,(H,15,16)/b4-3-/t8-,9?,12+/m1/s1
InChI Key IQGLAWZCMQYBPA-DMCHNEJWSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H18O4
Molecular Weight 226.27 g/mol
Exact Mass 226.12050905 g/mol
Topological Polar Surface Area (TPSA) 74.60 Ų
XlogP 1.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (-)-8-Hydroxyjasmonic acid

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 96.91% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.20% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.43% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.00% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.35% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 83.09% 91.11%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 82.26% 96.47%
CHEMBL3137262 O60341 LSD1/CoREST complex 82.09% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.69% 97.25%
CHEMBL5255 O00206 Toll-like receptor 4 80.16% 92.50%

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.
Helminthostachys zeylanica

Cross-Links

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PubChem 9964579
LOTUS LTS0123837
wikiData Q105154819