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Capsiate

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 1fc20bbf-b446-41c7-af85-5b68b1564028
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name (4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate
SMILES (Canonical) CC(C)C=CCCCCC(=O)OCC1=CC(=C(C=C1)O)OC
SMILES (Isomeric) CC(C)/C=C/CCCCC(=O)OCC1=CC(=C(C=C1)O)OC
InChI InChI=1S/C18H26O4/c1-14(2)8-6-4-5-7-9-18(20)22-13-15-10-11-16(19)17(12-15)21-3/h6,8,10-12,14,19H,4-5,7,9,13H2,1-3H3/b8-6+
InChI Key ZICNYIDDNJYKCP-SOFGYWHQSA-N
Popularity 38 references in papers

Physical and Chemical Properties

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Molecular Formula C18H26O4
Molecular Weight 306.40 g/mol
Exact Mass 306.18310931 g/mol
Topological Polar Surface Area (TPSA) 55.80 Ų
XlogP 4.20

Synonyms

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205687-01-0
(E)-4-Hydroxy-3-methoxybenzyl 8-methylnon-6-enoate
(4-hydroxy-3-methoxyphenyl)methyl (E)-8-methylnon-6-enoate
PX8I7HG5I3
(4-hydroxy-3-methoxyphenyl)methyl (6E)-8-methylnon-6-enoate
Capsiate Natura
(6E)-8-METHYL-6-NONENOIC ACID (4-HYDROXY-3-METHOXYPHENYL)METHYL ESTER
UNII-PX8I7HG5I3
SCHEMBL1585964
DTXSID20174575
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Capsiate

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
CHEMBL3060 Q9Y345 Glycine transporter 2 99.03% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 98.77% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.29% 96.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 96.47% 94.45%
CHEMBL2581 P07339 Cathepsin D 96.43% 98.95%
CHEMBL2535 P11166 Glucose transporter 94.25% 98.75%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 91.62% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.36% 95.56%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.63% 90.71%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 88.40% 95.50%
CHEMBL1293249 Q13887 Kruppel-like factor 5 88.18% 86.33%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.02% 89.62%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 85.63% 96.00%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.99% 95.89%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.92% 95.89%
CHEMBL340 P08684 Cytochrome P450 3A4 81.80% 91.19%
CHEMBL1293316 Q9HBX9 Relaxin receptor 1 81.40% 82.50%
CHEMBL1907591 P30926 Neuronal acetylcholine receptor; alpha4/beta4 80.30% 100.00%

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 9839519
LOTUS LTS0135010
wikiData Q27286800