(+/-)-trans-3-(4-Hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene

Details

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Internal ID 56745ee4-4a8c-4754-a0c8-236274f9cdb7
Taxonomy Benzenoids > Phenols > Methoxyphenols
IUPAC Name 4-[(1R,6S)-6-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]cyclohex-2-en-1-yl]-2-methoxyphenol
SMILES (Canonical) COC1=C(C=C(C=C1)C=CC2CCC=CC2C3=CC(=C(C=C3)O)OC)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)/C=C/[C@@H]2CCC=C[C@H]2C3=CC(=C(C=C3)O)OC)OC
InChI InChI=1S/C23H26O4/c1-25-21-13-9-16(14-23(21)27-3)8-10-17-6-4-5-7-19(17)18-11-12-20(24)22(15-18)26-2/h5,7-15,17,19,24H,4,6H2,1-3H3/b10-8+/t17-,19+/m0/s1
InChI Key NNDAWFGRMQFDQC-VXFSWMFESA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C23H26O4
Molecular Weight 366.40 g/mol
Exact Mass 366.18310931 g/mol
Topological Polar Surface Area (TPSA) 47.90 Ų
XlogP 5.30

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (+/-)-trans-3-(4-Hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 99.22% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.71% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 94.82% 97.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 94.70% 92.94%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 93.31% 89.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.66% 95.56%
CHEMBL4208 P20618 Proteasome component C5 92.30% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.63% 96.00%
CHEMBL3194 P02766 Transthyretin 90.19% 90.71%
CHEMBL5608 Q16288 NT-3 growth factor receptor 89.68% 95.89%
CHEMBL3438 Q05513 Protein kinase C zeta 89.24% 88.48%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.03% 86.33%
CHEMBL215 P09917 Arachidonate 5-lipoxygenase 87.98% 92.68%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.20% 89.00%
CHEMBL1163125 O60885 Bromodomain-containing protein 4 84.49% 97.31%
CHEMBL2535 P11166 Glucose transporter 81.09% 98.75%
CHEMBL2243 O00519 Anandamide amidohydrolase 80.98% 97.53%
CHEMBL3492 P49721 Proteasome Macropain subunit 80.27% 90.24%

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.
Zingiber montanum

Cross-Links

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PubChem 101774050
LOTUS LTS0227812
wikiData Q105182073