3,6,7-Trimethoxy-9,11,12,14-tetrahydrophenanthro[9,10-f]indolizine-4,14-diol

Details

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Internal ID 1e4e1aff-1505-4522-972e-351fc4cd6856
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthrols
IUPAC Name 3,6,7-trimethoxy-9,11,12,14-tetrahydrophenanthro[9,10-f]indolizine-4,14-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C23H23NO5/c1-27-17-7-6-12-20(23(17)26)14-10-19(29-3)18(28-2)9-13(14)15-11-24-8-4-5-16(24)22(25)21(12)15/h5-7,9-10,22,25-26H,4,8,11H2,1-3H3
InChI Key ZXNMSYXUHREWSY-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C23H23NO5
Molecular Weight 393.40 g/mol
Exact Mass 393.15762283 g/mol
Topological Polar Surface Area (TPSA) 71.40 Ų
XlogP 3.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,6,7-Trimethoxy-9,11,12,14-tetrahydrophenanthro[9,10-f]indolizine-4,14-diol

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 97.76% 91.11%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 95.86% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 95.45% 92.94%
CHEMBL1951 P21397 Monoamine oxidase A 95.40% 91.49%
CHEMBL4208 P20618 Proteasome component C5 92.70% 90.00%
CHEMBL2535 P11166 Glucose transporter 92.67% 98.75%
CHEMBL5608 Q16288 NT-3 growth factor receptor 92.07% 95.89%
CHEMBL2581 P07339 Cathepsin D 91.16% 98.95%
CHEMBL1806 P11388 DNA topoisomerase II alpha 90.59% 89.00%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 90.30% 89.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.69% 86.33%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.30% 95.56%
CHEMBL2146302 O94925 Glutaminase kidney isoform, mitochondrial 88.77% 100.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.68% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 85.96% 94.45%
CHEMBL3438 Q05513 Protein kinase C zeta 85.68% 88.48%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.11% 93.99%
CHEMBL2781 P19634 Sodium/hydrogen exchanger 1 83.81% 90.24%
CHEMBL2041 P07949 Tyrosine-protein kinase receptor RET 83.21% 91.79%
CHEMBL2243 O00519 Anandamide amidohydrolase 82.34% 97.53%

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 162927556
LOTUS LTS0103881
wikiData Q105385638