4-[(3R)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol

Details

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Internal ID c2fc69d1-b25d-4878-9a76-05bc68764219
Taxonomy Lignans, neolignans and related compounds
IUPAC Name 4-[(3R)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol
SMILES (Canonical) COC1=CC=C(C=C1)C=CC(C=C)C2=CC=C(C=C2)O
SMILES (Isomeric) COC1=CC=C(C=C1)C=C[C@@H](C=C)C2=CC=C(C=C2)O
InChI InChI=1S/C18H18O2/c1-3-15(16-8-10-17(19)11-9-16)7-4-14-5-12-18(20-2)13-6-14/h3-13,15,19H,1H2,2H3/t15-/m1/s1
InChI Key MTYGOTBQCBXZQD-OAHLLOKOSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C18H18O2
Molecular Weight 266.30 g/mol
Exact Mass 266.130679813 g/mol
Topological Polar Surface Area (TPSA) 29.50 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 4-[(3R)-1-(4-methoxyphenyl)penta-1,4-dien-3-yl]phenol

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 96.58% 91.11%
CHEMBL242 Q92731 Estrogen receptor beta 96.30% 98.35%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.22% 95.56%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.13% 96.00%
CHEMBL4208 P20618 Proteasome component C5 90.94% 90.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 89.07% 96.09%
CHEMBL211 P08172 Muscarinic acetylcholine receptor M2 88.83% 94.97%
CHEMBL3060 Q9Y345 Glycine transporter 2 88.27% 99.17%
CHEMBL3192 Q9BY41 Histone deacetylase 8 87.66% 93.99%
CHEMBL1951 P21397 Monoamine oxidase A 87.29% 91.49%
CHEMBL1907 P15144 Aminopeptidase N 86.29% 93.31%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.60% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.43% 94.45%
CHEMBL2535 P11166 Glucose transporter 83.06% 98.75%
CHEMBL2107 P61073 C-X-C chemokine receptor type 4 82.39% 93.10%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 80.56% 94.08%

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.
Anemarrhena asphodeloides

Cross-Links

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PubChem 162970871
LOTUS LTS0201256
wikiData Q105171978