(-)-Prostephanaberrine

Details

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Internal ID ce62257c-dd8e-4777-9cfa-f0d2ae34c514
Taxonomy Benzenoids > Phenanthrenes and derivatives
IUPAC Name (1R,13S)-11-hydroxy-15-methoxy-20-methyl-5,7-dioxa-20-azapentacyclo[11.4.3.01,13.02,10.04,8]icosa-2,4(8),9,15-tetraen-14-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C19H21NO5/c1-20-6-5-18-4-3-14(23-2)17(22)19(18,20)9-13(21)11-7-15-16(8-12(11)18)25-10-24-15/h3,7-8,13,21H,4-6,9-10H2,1-2H3/t13?,18-,19-/m1/s1
InChI Key AFTBFIOTWHPFTG-GFWLXOEUSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C19H21NO5
Molecular Weight 343.40 g/mol
Exact Mass 343.14197277 g/mol
Topological Polar Surface Area (TPSA) 68.20 Ų
XlogP 1.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (-)-Prostephanaberrine

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
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 99.16% 96.77%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 96.84% 96.09%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.47% 91.11%
CHEMBL1293249 Q13887 Kruppel-like factor 5 94.12% 86.33%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.28% 94.45%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 92.02% 93.40%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 91.08% 90.71%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.42% 95.56%
CHEMBL2581 P07339 Cathepsin D 89.46% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 88.05% 94.00%
CHEMBL5608 Q16288 NT-3 growth factor receptor 86.82% 95.89%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.77% 97.25%
CHEMBL4208 P20618 Proteasome component C5 86.65% 90.00%
CHEMBL1806 P11388 DNA topoisomerase II alpha 86.47% 89.00%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 86.25% 85.14%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 85.40% 90.24%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 84.10% 92.62%
CHEMBL1994 P08235 Mineralocorticoid receptor 83.48% 100.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 83.09% 99.23%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 80.92% 95.53%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 80.25% 82.38%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
To see more specific details click the taxa you are interested in.
Stephania japonica

Cross-Links

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PubChem 129317196
LOTUS LTS0082832
wikiData Q104911553