(3R,5R)-1,7-bis(3,4-dimethoxyphenyl)heptane-3,5-diol

Details

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Internal ID 8f93a91a-7e71-48aa-af9d-f9ac3e6f99fa
Taxonomy Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids
IUPAC Name (3R,5R)-1,7-bis(3,4-dimethoxyphenyl)heptane-3,5-diol
SMILES (Canonical) COC1=C(C=C(C=C1)CCC(CC(CCC2=CC(=C(C=C2)OC)OC)O)O)OC
SMILES (Isomeric) COC1=C(C=C(C=C1)CC[C@H](C[C@@H](CCC2=CC(=C(C=C2)OC)OC)O)O)OC
InChI InChI=1S/C23H32O6/c1-26-20-11-7-16(13-22(20)28-3)5-9-18(24)15-19(25)10-6-17-8-12-21(27-2)23(14-17)29-4/h7-8,11-14,18-19,24-25H,5-6,9-10,15H2,1-4H3/t18-,19-/m1/s1
InChI Key NLRQFTHYBLYLSS-RTBURBONSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C23H32O6
Molecular Weight 404.50 g/mol
Exact Mass 404.21988874 g/mol
Topological Polar Surface Area (TPSA) 77.40 Ų
XlogP 3.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (3R,5R)-1,7-bis(3,4-dimethoxyphenyl)heptane-3,5-diol

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 97.61% 96.09%
CHEMBL2581 P07339 Cathepsin D 96.12% 98.95%
CHEMBL1255126 O15151 Protein Mdm4 92.75% 90.20%
CHEMBL3060 Q9Y345 Glycine transporter 2 90.98% 99.17%
CHEMBL2535 P11166 Glucose transporter 89.71% 98.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.30% 86.33%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.10% 91.11%
CHEMBL5939 Q9NZ08 Endoplasmic reticulum aminopeptidase 1 86.02% 100.00%
CHEMBL1907 P15144 Aminopeptidase N 83.85% 93.31%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 83.47% 86.92%
CHEMBL5608 Q16288 NT-3 growth factor receptor 82.67% 95.89%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 81.43% 85.14%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 81.43% 96.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.39% 94.45%

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.
Tacca chantrieri

Cross-Links

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PubChem 10949483
LOTUS LTS0094395
wikiData Q105181530