Querciformolide D

Details

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Internal ID 740eb7f3-b288-4f9a-8bd4-76ee82daf201
Taxonomy Phenylpropanoids and polyketides > Macrolides and analogues
IUPAC Name (1R,3S,4R,7S,8R,11R,12R)-3,8,11-trihydroxy-4,8,12-trimethyl-15-methylidene-13,18-dioxatricyclo[10.3.2.14,7]octadecan-14-one
SMILES (Canonical) CC12CCC(CC(C3(CCC(O3)C(CCC1O)(C)O)C)O)C(=C)C(=O)O2
SMILES (Isomeric) C[C@@]12CC[C@H](C[C@@H]([C@]3(CC[C@H](O3)[C@](CC[C@H]1O)(C)O)C)O)C(=C)C(=O)O2
InChI InChI=1S/C20H32O6/c1-12-13-5-9-19(3,26-17(12)23)14(21)6-8-18(2,24)16-7-10-20(4,25-16)15(22)11-13/h13-16,21-22,24H,1,5-11H2,2-4H3/t13-,14-,15+,16+,18-,19-,20-/m1/s1
InChI Key JROSFLRPNMYWEE-BONJLBFOSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H32O6
Molecular Weight 368.50 g/mol
Exact Mass 368.21988874 g/mol
Topological Polar Surface Area (TPSA) 96.20 Ų
XlogP 1.30

Synonyms

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CHEMBL492050

2D Structure

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2D Structure of Querciformolide 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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.06% 91.11%
CHEMBL3137262 O60341 LSD1/CoREST complex 91.68% 97.09%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.08% 95.56%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 88.41% 85.14%
CHEMBL2581 P07339 Cathepsin D 88.23% 98.95%
CHEMBL253 P34972 Cannabinoid CB2 receptor 87.26% 97.25%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 86.95% 97.14%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 85.93% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.62% 89.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 85.41% 99.23%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 84.14% 82.69%
CHEMBL1871 P10275 Androgen Receptor 83.42% 96.43%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.17% 100.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.67% 95.89%
CHEMBL2007 P16234 Platelet-derived growth factor receptor alpha 81.34% 91.07%
CHEMBL1293249 Q13887 Kruppel-like factor 5 80.88% 86.33%
CHEMBL3351 Q13085 Acetyl-CoA carboxylase 1 80.38% 93.04%
CHEMBL221 P23219 Cyclooxygenase-1 80.25% 90.17%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 80.23% 92.88%

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 25135437
LOTUS LTS0113576
wikiData Q105134019