(2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-3-(3,4,5-trimethoxyphenyl)propan-1-ol

Details

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Internal ID ed8466e6-91e0-4b53-a2e9-8416080c6a1b
Taxonomy Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes
IUPAC Name (2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-3-(3,4,5-trimethoxyphenyl)propan-1-ol
SMILES (Canonical) COC1=CC(=CC(=C1OC(CC2=CC(=C(C(=C2)OC)OC)OC)CO)OC)CC=C
SMILES (Isomeric) COC1=CC(=CC(=C1O[C@H](CC2=CC(=C(C(=C2)OC)OC)OC)CO)OC)CC=C
InChI InChI=1S/C23H30O7/c1-7-8-15-10-20(27-4)23(21(11-15)28-5)30-17(14-24)9-16-12-18(25-2)22(29-6)19(13-16)26-3/h7,10-13,17,24H,1,8-9,14H2,2-6H3/t17-/m1/s1
InChI Key QHZHFPXYTHWXIJ-QGZVFWFLSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H30O7
Molecular Weight 418.50 g/mol
Exact Mass 418.19915329 g/mol
Topological Polar Surface Area (TPSA) 75.60 Ų
XlogP 4.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-2-(2,6-dimethoxy-4-prop-2-enylphenoxy)-3-(3,4,5-trimethoxyphenyl)propan-1-ol

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 96.96% 96.09%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.90% 99.17%
CHEMBL1255126 O15151 Protein Mdm4 91.78% 90.20%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 87.76% 94.45%
CHEMBL2581 P07339 Cathepsin D 87.53% 98.95%
CHEMBL3286 P00749 Urokinase-type plasminogen activator 86.40% 97.88%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.40% 86.33%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.19% 90.24%
CHEMBL2413 P32246 C-C chemokine receptor type 1 81.11% 89.50%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 80.51% 89.62%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.44% 95.89%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 80.41% 92.62%
CHEMBL4208 P20618 Proteasome component C5 80.38% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.28% 95.50%

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.
Rhaphidophora decursiva

Cross-Links

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PubChem 11101826
LOTUS LTS0106281
wikiData Q105221224