16-Oxoprometaphanine

Details

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Internal ID b9988453-6fad-4a72-886f-d0a2c1861652
Taxonomy Benzenoids > Phenanthrenes and derivatives
IUPAC Name (1R,8S,10S)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraene-11,16-dione
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H23NO6/c1-21-15(23)10-19-8-7-14(26-3)18(24)20(19,21)9-12(22)11-5-6-13(25-2)17(27-4)16(11)19/h5-7,12,22H,8-10H2,1-4H3/t12-,19+,20+/m0/s1
InChI Key ZLACZJGCNXVIAX-NXXCRTJYSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C20H23NO6
Molecular Weight 373.40 g/mol
Exact Mass 373.15253745 g/mol
Topological Polar Surface Area (TPSA) 85.30 Ų
XlogP 0.90

Synonyms

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58738-31-1
AKOS032948752
FS-10050
(1R,8S,10S)-8-hydroxy-3,4,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,12-tetraene-11,16-dione

2D Structure

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2D Structure of 16-Oxoprometaphanine

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 97.67% 96.09%
CHEMBL4040 P28482 MAP kinase ERK2 96.28% 83.82%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 94.72% 85.14%
CHEMBL1293249 Q13887 Kruppel-like factor 5 93.10% 86.33%
CHEMBL2581 P07339 Cathepsin D 92.30% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.25% 94.00%
CHEMBL2535 P11166 Glucose transporter 89.96% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 88.49% 95.89%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 88.30% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 86.25% 97.25%
CHEMBL4208 P20618 Proteasome component C5 84.79% 90.00%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 84.27% 96.77%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.64% 94.45%
CHEMBL1255126 O15151 Protein Mdm4 82.20% 90.20%
CHEMBL3137262 O60341 LSD1/CoREST complex 81.98% 97.09%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 80.87% 95.53%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 80.67% 97.33%
CHEMBL1902 P62942 FK506-binding protein 1A 80.43% 97.05%

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 91895298
LOTUS LTS0083809
wikiData Q105378826