3-Heptadec-1-enylphenol

Details

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Internal ID b4f547bf-efee-4fb0-839c-a968787f84bf
Taxonomy Benzenoids > Benzene and substituted derivatives > Styrenes
IUPAC Name 3-heptadec-1-enylphenol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H38O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-22-19-17-20-23(24)21-22/h16-21,24H,2-15H2,1H3
InChI Key MZXSKLSWTRMINA-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C23H38O
Molecular Weight 330.50 g/mol
Exact Mass 330.292265831 g/mol
Topological Polar Surface Area (TPSA) 20.20 Ų
XlogP 10.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3-Heptadec-1-enylphenol

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
CHEMBL240 Q12809 HERG 97.94% 89.76%
CHEMBL2581 P07339 Cathepsin D 97.71% 98.95%
CHEMBL3060 Q9Y345 Glycine transporter 2 97.39% 99.17%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.95% 91.11%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 96.93% 92.08%
CHEMBL1293249 Q13887 Kruppel-like factor 5 96.81% 86.33%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 93.72% 91.71%
CHEMBL1951 P21397 Monoamine oxidase A 93.10% 91.49%
CHEMBL3401 O75469 Pregnane X receptor 92.16% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 91.92% 96.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 91.73% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.28% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 88.49% 96.00%
CHEMBL1907 P15144 Aminopeptidase N 88.46% 93.31%
CHEMBL230 P35354 Cyclooxygenase-2 87.51% 89.63%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 86.09% 97.21%
CHEMBL3359 P21462 Formyl peptide receptor 1 85.13% 93.56%
CHEMBL3192 Q9BY41 Histone deacetylase 8 82.38% 93.99%
CHEMBL1781 P11387 DNA topoisomerase I 80.61% 97.00%

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.
Schistochila appendiculata

Cross-Links

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PubChem 129709918
LOTUS LTS0019305
wikiData Q105176107