Miophytocen D

Details

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Internal ID 11102bb4-ac86-4bd7-acf1-50deff18a148
Taxonomy Organoheterocyclic compounds > Oxepanes
IUPAC Name (1R,2S,3R,6Z,8E,10R,14E,19R,22S,23S,24R,26R)-1,22-dihydroxy-10-[(1R)-1-hydroxyethyl]-2,14,22-trimethyl-4,11,17,25-tetraoxapentacyclo[21.3.1.13,26.02,19.019,24]octacosa-6,8,14-triene-5,16-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C29H40O9/c1-17-9-12-35-20(18(2)30)7-5-6-8-23(31)37-21-14-22-29(34)15-19-25(38-22)28(27(21,29)4,11-10-26(19,3)33)16-36-24(32)13-17/h5-8,13,18-22,25,30,33-34H,9-12,14-16H2,1-4H3/b7-5+,8-6-,17-13+/t18-,19+,20-,21-,22-,25-,26+,27-,28-,29+/m1/s1
InChI Key UOCCUNQTUJJNLV-ZYPGXLDSSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C29H40O9
Molecular Weight 532.60 g/mol
Exact Mass 532.26723285 g/mol
Topological Polar Surface Area (TPSA) 132.00 Ų
XlogP 1.60

Synonyms

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SCHEMBL23996269

2D Structure

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2D Structure of Miophytocen D

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
CHEMBL253 P34972 Cannabinoid CB2 receptor 98.39% 97.25%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 97.73% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.33% 95.56%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 95.19% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.07% 96.09%
CHEMBL1994 P08235 Mineralocorticoid receptor 92.93% 100.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.66% 97.09%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 90.73% 94.45%
CHEMBL3130 O00329 PI3-kinase p110-delta subunit 89.80% 96.47%
CHEMBL2581 P07339 Cathepsin D 88.61% 98.95%
CHEMBL1937 Q92769 Histone deacetylase 2 87.05% 94.75%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.62% 86.33%
CHEMBL3145 P42338 PI3-kinase p110-beta subunit 86.52% 98.75%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.95% 99.23%
CHEMBL284 P27487 Dipeptidyl peptidase IV 85.87% 95.69%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.86% 89.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.55% 96.77%
CHEMBL1871 P10275 Androgen Receptor 83.67% 96.43%
CHEMBL4657 Q6V1X1 Dipeptidyl peptidase VIII 83.33% 97.21%
CHEMBL2996 Q05655 Protein kinase C delta 83.27% 97.79%
CHEMBL1293255 P15428 15-hydroxyprostaglandin dehydrogenase [NAD+] 80.58% 83.57%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 80.46% 93.03%

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 145720768
LOTUS LTS0180674
wikiData Q105276261