Curvulone A

Details

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Internal ID e32cf19c-cd62-4e9f-ac9f-127daa915911
Taxonomy Organoheterocyclic compounds > Benzofurans
IUPAC Name (9R)-3-hydroxy-9-methyl-8,17-dioxatricyclo[12.2.1.05,16]heptadeca-1,3,5(16)-triene-7,12,15-trione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C16H16O6/c1-8-2-3-10(17)6-13-16(20)15-9(5-14(19)21-8)4-11(18)7-12(15)22-13/h4,7-8,13,18H,2-3,5-6H2,1H3/t8-,13?/m1/s1
InChI Key HIIVTQUVGCJQCN-UOGPZTOASA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C16H16O6
Molecular Weight 304.29 g/mol
Exact Mass 304.09468823 g/mol
Topological Polar Surface Area (TPSA) 89.90 Ų
XlogP 1.20

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Curvulone A

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 97.97% 91.11%
CHEMBL2581 P07339 Cathepsin D 94.95% 98.95%
CHEMBL217 P14416 Dopamine D2 receptor 93.45% 95.62%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 92.83% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.93% 96.09%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 88.69% 90.71%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.53% 89.00%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 85.45% 93.40%
CHEMBL1994 P08235 Mineralocorticoid receptor 85.29% 100.00%
CHEMBL3401 O75469 Pregnane X receptor 84.31% 94.73%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 84.11% 85.00%
CHEMBL3137262 O60341 LSD1/CoREST complex 83.52% 97.09%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.23% 99.23%
CHEMBL241 Q14432 Phosphodiesterase 3A 83.19% 92.94%
CHEMBL1293249 Q13887 Kruppel-like factor 5 83.03% 86.33%
CHEMBL2553 Q15418 Ribosomal protein S6 kinase alpha 1 82.62% 85.11%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.53% 94.45%
CHEMBL3060 Q9Y345 Glycine transporter 2 82.29% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 81.87% 95.89%
CHEMBL1929 P47989 Xanthine dehydrogenase 80.61% 96.12%

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 139585804
LOTUS LTS0103520
wikiData Q77492147