Verimol G

Details

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Internal ID 8d5ecff5-4c55-4fbf-8f52-16c82b8bede7
Taxonomy Benzenoids > Benzene and substituted derivatives > Phenylpropanes
IUPAC Name 1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol
SMILES (Canonical) CC(C(C1=CC=C(C=C1)OC)OC(C)C(C2=CC=C(C=C2)OC)O)O
SMILES (Isomeric) CC(C(C1=CC=C(C=C1)OC)OC(C)C(C2=CC=C(C=C2)OC)O)O
InChI InChI=1S/C20H26O5/c1-13(21)20(16-7-11-18(24-4)12-8-16)25-14(2)19(22)15-5-9-17(23-3)10-6-15/h5-14,19-22H,1-4H3
InChI Key TXTILWZRXPOUKA-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C20H26O5
Molecular Weight 346.40 g/mol
Exact Mass 346.17802393 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 2.60

Synonyms

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CHEBI:175401
2-[2-hydroxy-1-(4-methoxyphenyl)propoxy]-1-(4-methoxyphenyl)propan-1-ol
1-[1-hydroxy-1-(4-methoxyphenyl)propan-2-yl]oxy-1-(4-methoxyphenyl)propan-2-ol

2D Structure

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2D Structure of Verimol G

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 95.96% 96.09%
CHEMBL4208 P20618 Proteasome component C5 95.80% 90.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 95.22% 85.14%
CHEMBL3492 P49721 Proteasome Macropain subunit 88.76% 90.24%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.20% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.89% 91.11%
CHEMBL2581 P07339 Cathepsin D 85.86% 98.95%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 84.66% 96.00%
CHEMBL1907 P15144 Aminopeptidase N 82.81% 93.31%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 82.47% 100.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.43% 94.45%
CHEMBL221 P23219 Cyclooxygenase-1 82.24% 90.17%
CHEMBL301 P24941 Cyclin-dependent kinase 2 82.15% 91.23%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 80.24% 99.15%

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.
Illicium verum

Cross-Links

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PubChem 45360337
LOTUS LTS0211309
wikiData Q105266992