3-(10,11-Dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde

Details

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Internal ID c7275b47-e295-42ee-8286-310864db8218
Taxonomy Lipids and lipid-like molecules > Prenol lipids > Sesquiterpenoids
IUPAC Name 3-(10,11-dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H34O5/c1-15(7-6-8-16(2)10-12-21(26)23(4,5)28)9-11-18-20(25)13-17(3)19(14-24)22(18)27/h8-9,13-14,21,25-28H,6-7,10-12H2,1-5H3
InChI Key WZJNPSYHERZTNW-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H34O5
Molecular Weight 390.50 g/mol
Exact Mass 390.24062418 g/mol
Topological Polar Surface Area (TPSA) 98.00 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-(10,11-Dihydroxy-3,7,11-trimethyldodeca-2,6-dienyl)-2,4-dihydroxy-6-methylbenzaldehyde

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
CHEMBL3401 O75469 Pregnane X receptor 97.73% 94.73%
CHEMBL2581 P07339 Cathepsin D 97.42% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.66% 91.11%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 95.06% 98.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.43% 95.56%
CHEMBL1951 P21397 Monoamine oxidase A 90.36% 91.49%
CHEMBL4581 P52732 Kinesin-like protein 1 87.46% 93.18%
CHEMBL1907594 P30926 Neuronal acetylcholine receptor; alpha3/beta4 87.44% 97.23%
CHEMBL5163 Q9NY46 Sodium channel protein type III alpha subunit 86.52% 96.90%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 86.45% 92.68%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.27% 99.17%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 84.20% 92.08%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.91% 99.15%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 82.31% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 81.78% 89.00%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 81.74% 97.21%
CHEMBL3359 P21462 Formyl peptide receptor 1 81.73% 93.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 80.11% 96.00%

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 85199232
LOTUS LTS0085983
wikiData Q104200769