Aranciamycin K

Details

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Internal ID ad6423c2-8134-48f9-bdd7-c363ffb97775
Taxonomy Benzenoids > Naphthacenes > Tetracenequinones
IUPAC Name (7S,9S)-4,6,7,9-tetrahydroxy-9-(2-oxopropyl)-8,10-dihydro-7H-tetracene-5,12-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C21H18O7/c1-9(22)6-21(28)7-10-5-12-17(19(26)15(10)14(24)8-21)20(27)16-11(18(12)25)3-2-4-13(16)23/h2-5,14,23-24,26,28H,6-8H2,1H3/t14-,21-/m0/s1
InChI Key GIGPEJZJXUVRPI-QKKBWIMNSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C21H18O7
Molecular Weight 382.40 g/mol
Exact Mass 382.10525291 g/mol
Topological Polar Surface Area (TPSA) 132.00 Ų
XlogP 1.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of Aranciamycin K

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 99.53% 91.11%
CHEMBL2581 P07339 Cathepsin D 99.27% 98.95%
CHEMBL4685 P14902 Indoleamine 2,3-dioxygenase 98.90% 96.38%
CHEMBL1951 P21397 Monoamine oxidase A 98.56% 91.49%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.28% 96.09%
CHEMBL1806 P11388 DNA topoisomerase II alpha 95.58% 89.00%
CHEMBL226 P30542 Adenosine A1 receptor 93.77% 95.93%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 93.16% 95.56%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.65% 99.23%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.76% 86.33%
CHEMBL217 P14416 Dopamine D2 receptor 86.42% 95.62%
CHEMBL1907600 Q00535 Cyclin-dependent kinase 5/CDK5 activator 1 85.72% 93.03%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.64% 95.89%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.81% 100.00%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 83.73% 82.69%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 83.52% 90.71%
CHEMBL340 P08684 Cytochrome P450 3A4 80.90% 91.19%
CHEMBL2535 P11166 Glucose transporter 80.87% 98.75%

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 145720668
LOTUS LTS0086143
wikiData Q105008969