(1Z,3S,4R,5Z)-3-(3,4-dimethoxyphenyl)-4-(2,4,5-trimethoxyphenyl)cycloocta-1,5-diene

Details

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Internal ID ec00b593-5630-4326-9aa4-6b17d9485864
Taxonomy Phenylpropanoids and polyketides > Stilbenes
IUPAC Name (1Z,3S,4R,5Z)-3-(3,4-dimethoxyphenyl)-4-(2,4,5-trimethoxyphenyl)cycloocta-1,5-diene
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C25H30O5/c1-26-21-13-12-17(14-23(21)28-3)18-10-8-6-7-9-11-19(18)20-15-24(29-4)25(30-5)16-22(20)27-2/h8-16,18-19H,6-7H2,1-5H3/b10-8-,11-9-/t18-,19-/m1/s1
InChI Key IWWCDRYEUXVJDV-OQQGGEOCSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C25H30O5
Molecular Weight 410.50 g/mol
Exact Mass 410.20932405 g/mol
Topological Polar Surface Area (TPSA) 46.20 Ų
XlogP 5.50

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (1Z,3S,4R,5Z)-3-(3,4-dimethoxyphenyl)-4-(2,4,5-trimethoxyphenyl)cycloocta-1,5-diene

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.26% 96.09%
CHEMBL3137262 O60341 LSD1/CoREST complex 90.39% 97.09%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.11% 89.62%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 87.87% 91.11%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 87.76% 85.14%
CHEMBL4208 P20618 Proteasome component C5 87.27% 90.00%
CHEMBL241 Q14432 Phosphodiesterase 3A 86.79% 92.94%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.49% 95.56%
CHEMBL2581 P07339 Cathepsin D 85.55% 98.95%
CHEMBL1293249 Q13887 Kruppel-like factor 5 84.85% 86.33%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.46% 95.89%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 84.21% 94.45%
CHEMBL3192 Q9BY41 Histone deacetylase 8 84.06% 93.99%
CHEMBL2535 P11166 Glucose transporter 82.54% 98.75%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 80.88% 85.49%
CHEMBL3438 Q05513 Protein kinase C zeta 80.41% 88.48%

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 44521498
LOTUS LTS0071867
wikiData Q105121925