Phenol, 3-(8,11,14-pentadecatrienyl)-

Details

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Internal ID f7cfb645-08d9-4e28-b14c-56012a5dbd5c
Taxonomy Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
IUPAC Name 3-pentadeca-8,11,14-trienylphenol
SMILES (Canonical) C=CCC=CCC=CCCCCCCCC1=CC(=CC=C1)O
SMILES (Isomeric) C=CCC=CCC=CCCCCCCCC1=CC(=CC=C1)O
InChI InChI=1S/C21H30O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h2,4-5,7-8,15,17-19,22H,1,3,6,9-14,16H2
InChI Key JOLVYUIAMRUBRK-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C21H30O
Molecular Weight 298.50 g/mol
Exact Mass 298.229665576 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 7.60

Synonyms

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Phenol, 3-(8,11,14-pentadecatrienyl)-
SCHEMBL2687568
DTXSID00391182
3-(n-pentadeca-8,11,14-trienyl) phenol

2D Structure

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2D Structure of Phenol, 3-(8,11,14-pentadecatrienyl)-

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 97.39% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 94.46% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.69% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.28% 86.33%
CHEMBL1951 P21397 Monoamine oxidase A 89.80% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 88.87% 94.73%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.07% 96.09%
CHEMBL3891 P07384 Calpain 1 86.86% 93.04%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 86.48% 95.17%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.50% 94.45%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 85.47% 92.08%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.86% 95.56%
CHEMBL5805 Q9NR97 Toll-like receptor 8 84.57% 96.25%
CHEMBL3902 P09211 Glutathione S-transferase Pi 82.93% 93.81%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 82.83% 91.71%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 81.98% 95.89%
CHEMBL236 P41143 Delta opioid receptor 81.84% 99.35%
CHEMBL5203 P33316 dUTP pyrophosphatase 81.49% 99.18%
CHEMBL5678 P34947 G protein-coupled receptor kinase 5 80.95% 88.00%
CHEMBL1781 P11387 DNA topoisomerase I 80.50% 97.00%
CHEMBL233 P35372 Mu opioid receptor 80.42% 97.93%

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.
Anacardium occidentale

Cross-Links

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PubChem 3297127
LOTUS LTS0257196
wikiData Q82188462