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Lasiojasmonate C

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID 040aa896-f2d9-46e3-ae6d-8825134643a4
Taxonomy Lipids and lipid-like molecules > Fatty Acyls > Lineolic acids and derivatives > Jasmonic acids
IUPAC Name [(2R,3R,4S,5S)-5-[[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methoxy]-2,4-dimethyloxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H40O7/c1-6-7-8-9-20-19(10-11-23(20)27)12-24(28)30-13-22-16(3)26(33-18(22)5)31-14-21-15(2)25(29)32-17(21)4/h7-8,15-22,26H,6,9-14H2,1-5H3/b8-7-/t15-,16-,17+,18+,19+,20+,21-,22-,26-/m0/s1
InChI Key ZFWVWJMEIUIICD-FASYBFROSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C26H40O7
Molecular Weight 464.60 g/mol
Exact Mass 464.27740361 g/mol
Topological Polar Surface Area (TPSA) 88.10 Ų
XlogP 3.90

Synonyms

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[(2R,3R,4S,5S)-5-[[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methoxy]-2,4-dimethyloxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate
((2R,3R,4S,5S)-5-(((2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl)methoxy)-2,4-dimethyloxolan-3-yl)methyl 2-((1R,2R)-3-oxo-2-((2Z)-pent-2-en-1-yl)cyclopentyl)acetic acid
((2R,3R,4S,5S)-5-(((2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl)methoxy)-2,4-dimethyloxolan-3-yl)methyl 2-((1R,2R)-3-oxo-2-((Z)-pent-2-enyl)cyclopentyl)acetate
[(2R,3R,4S,5S)-5-{[(2R,3R,4S)-2,4-dimethyl-5-oxooxolan-3-yl]methoxy}-2,4-dimethyloxolan-3-yl]methyl 2-[(1R,2R)-3-oxo-2-[(2Z)-pent-2-en-1-yl]cyclopentyl]acetic acid
Lasiojasmonic acid C
RefChem:152414
CHEBI:201889

2D Structure

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2D Structure of Lasiojasmonate C

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.52% 91.11%
CHEMBL230 P35354 Cyclooxygenase-2 94.25% 89.63%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 94.09% 96.77%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.84% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.45% 97.09%
CHEMBL4072 P07858 Cathepsin B 89.94% 93.67%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.02% 89.00%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.90% 97.25%
CHEMBL3060 Q9Y345 Glycine transporter 2 86.60% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.28% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.55% 95.56%
CHEMBL340 P08684 Cytochrome P450 3A4 82.18% 91.19%
CHEMBL1951 P21397 Monoamine oxidase A 81.90% 91.49%
CHEMBL5255 O00206 Toll-like receptor 4 81.83% 92.50%
CHEMBL5608 Q16288 NT-3 growth factor receptor 80.77% 95.89%
CHEMBL1871 P10275 Androgen Receptor 80.46% 96.43%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.24% 99.23%

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 139584382
LOTUS LTS0067807
wikiData Q77311044