5-[(Z)-14-(3,5-dihydroxy-4-methylphenyl)tetradec-8-enyl]-2-methylbenzene-1,3-diol

Details

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Internal ID f64a86e6-d71d-485f-8778-9d9e7cf10a03
Taxonomy Benzenoids > Phenols > Benzenediols > Resorcinols
IUPAC Name 5-[(Z)-14-(3,5-dihydroxy-4-methylphenyl)tetradec-8-enyl]-2-methylbenzene-1,3-diol
SMILES (Canonical) CC1=C(C=C(C=C1O)CCCCCCCC=CCCCCCC2=CC(=C(C(=C2)O)C)O)O
SMILES (Isomeric) CC1=C(C=C(C=C1O)CCCCCCC/C=C\CCCCCC2=CC(=C(C(=C2)O)C)O)O
InChI InChI=1S/C28H40O4/c1-21-25(29)17-23(18-26(21)30)15-13-11-9-7-5-3-4-6-8-10-12-14-16-24-19-27(31)22(2)28(32)20-24/h3,5,17-20,29-32H,4,6-16H2,1-2H3/b5-3-
InChI Key QCHSYRBERBEGPD-HYXAFXHYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C28H40O4
Molecular Weight 440.60 g/mol
Exact Mass 440.29265975 g/mol
Topological Polar Surface Area (TPSA) 80.90 Ų
XlogP 9.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 5-[(Z)-14-(3,5-dihydroxy-4-methylphenyl)tetradec-8-enyl]-2-methylbenzene-1,3-diol

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 94.07% 98.95%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.01% 91.11%
CHEMBL3060 Q9Y345 Glycine transporter 2 92.59% 99.17%
CHEMBL3401 O75469 Pregnane X receptor 89.55% 94.73%
CHEMBL4793 Q86TI2 Dipeptidyl peptidase IX 89.03% 96.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 83.31% 96.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.08% 95.56%
CHEMBL3492 P49721 Proteasome Macropain subunit 83.07% 90.24%
CHEMBL4208 P20618 Proteasome component C5 81.58% 90.00%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.54% 86.33%
CHEMBL1163101 O75460 Serine/threonine-protein kinase/endoribonuclease IRE1 81.26% 98.11%
CHEMBL5805 Q9NR97 Toll-like receptor 8 81.14% 96.25%
CHEMBL4769 O95749 Geranylgeranyl pyrophosphate synthetase 80.63% 92.08%

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.
Grevillea glauca

Cross-Links

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PubChem 101534700
LOTUS LTS0126960
wikiData Q105218234