Curtisian B

Details

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Internal ID c3b54ce5-8e95-4d81-a1c2-444d04b34c70
Taxonomy Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls
IUPAC Name [2,4,5-triacetyloxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-phenylpropanoate
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C33H28O10/c1-19(34)40-30-28(23-10-14-25(37)15-11-23)32(42-21(3)36)33(43-27(39)18-9-22-7-5-4-6-8-22)29(31(30)41-20(2)35)24-12-16-26(38)17-13-24/h4-8,10-17,37-38H,9,18H2,1-3H3
InChI Key FVIXJWLGXKDNER-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C33H28O10
Molecular Weight 584.60 g/mol
Exact Mass 584.16824709 g/mol
Topological Polar Surface Area (TPSA) 146.00 Ų
XlogP 5.40

Synonyms

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3',5',6'-tris(acetyloxy)-4,4''-dihydroxy-1,1':4',1''-terphenyl-2'-yl 3-phenylpropanoate
CHEBI:65697
[2,4,5-triacetyloxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-phenylpropanoate
Q27134180

2D Structure

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2D Structure of Curtisian B

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
CHEMBL2581 P07339 Cathepsin D 98.89% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.20% 96.09%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 95.55% 94.62%
CHEMBL3060 Q9Y345 Glycine transporter 2 93.10% 99.17%
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.96% 86.33%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 91.84% 95.50%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.02% 91.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 88.07% 94.45%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 86.50% 91.71%
CHEMBL3401 O75469 Pregnane X receptor 84.66% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.45% 95.56%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 82.43% 97.21%
CHEMBL2345 P51812 Ribosomal protein S6 kinase alpha 3 82.16% 95.64%
CHEMBL335 P18031 Protein-tyrosine phosphatase 1B 80.57% 95.17%
CHEMBL1907603 Q05586 Glutamate NMDA receptor; GRIN1/GRIN2B 80.35% 95.89%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 10077008
LOTUS LTS0201678
wikiData Q27134180