Phenol, 3-(8,11-pentadecadienyl)-

Details

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Internal ID 911becf2-4a5f-4647-a896-3a0cbf2de214
Taxonomy Benzenoids > Phenols > 1-hydroxy-4-unsubstituted benzenoids
IUPAC Name 3-pentadeca-8,11-dienylphenol
SMILES (Canonical) CCCC=CCC=CCCCCCCCC1=CC(=CC=C1)O
SMILES (Isomeric) CCCC=CCC=CCCCCCCCC1=CC(=CC=C1)O
InChI InChI=1S/C21H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-20-17-15-18-21(22)19-20/h4-5,7-8,15,17-19,22H,2-3,6,9-14,16H2,1H3
InChI Key FAYVLNWNMNHXGA-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C21H32O
Molecular Weight 300.50 g/mol
Exact Mass 300.245315640 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 7.80

Synonyms

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31910-56-2
SCHEMBL2689200
DTXSID60287456
3-(n-pentadeca-8,11-dienyl) phenol

2D Structure

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

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 98.82% 98.95%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.04% 92.08%
CHEMBL3060 Q9Y345 Glycine transporter 2 95.30% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.27% 86.33%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.75% 96.09%
CHEMBL3401 O75469 Pregnane X receptor 90.75% 94.73%
CHEMBL240 Q12809 HERG 88.20% 89.76%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.19% 91.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.45% 95.56%
CHEMBL236 P41143 Delta opioid receptor 85.24% 99.35%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 84.74% 91.11%
CHEMBL2535 P11166 Glucose transporter 83.91% 98.75%
CHEMBL1951 P21397 Monoamine oxidase A 83.64% 91.49%
CHEMBL1781 P11387 DNA topoisomerase I 83.42% 97.00%
CHEMBL3891 P07384 Calpain 1 81.74% 93.04%
CHEMBL5805 Q9NR97 Toll-like receptor 8 80.83% 96.25%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 80.29% 96.95%
CHEMBL5203 P33316 dUTP pyrophosphatase 80.03% 99.18%

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 242469
LOTUS LTS0133370
wikiData Q82023506