3,4,6,7-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol

Details

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Internal ID e9e8750c-316b-424b-ace2-6f2dadf7795d
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthroindolizidines
IUPAC Name 3,4,6,7-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H27NO5/c1-27-18-8-7-13-21-16(12-25-9-5-6-17(25)23(21)26)14-10-19(28-2)20(29-3)11-15(14)22(13)24(18)30-4/h7-8,10-11,17,23,26H,5-6,9,12H2,1-4H3
InChI Key MGVIWPMJQXPEDE-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H27NO5
Molecular Weight 409.50 g/mol
Exact Mass 409.18892296 g/mol
Topological Polar Surface Area (TPSA) 60.40 Ų
XlogP 3.60

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,4,6,7-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizin-14-ol

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
CHEMBL4040 P28482 MAP kinase ERK2 97.40% 83.82%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.83% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 94.70% 95.89%
CHEMBL241 Q14432 Phosphodiesterase 3A 93.03% 92.94%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 92.76% 94.45%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 91.56% 89.62%
CHEMBL2535 P11166 Glucose transporter 90.74% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.12% 95.56%
CHEMBL2581 P07339 Cathepsin D 88.39% 98.95%
CHEMBL3192 Q9BY41 Histone deacetylase 8 88.28% 93.99%
CHEMBL5747 Q92793 CREB-binding protein 88.00% 95.12%
CHEMBL1293249 Q13887 Kruppel-like factor 5 85.64% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 85.49% 89.00%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 85.18% 91.11%
CHEMBL1871 P10275 Androgen Receptor 84.59% 96.43%
CHEMBL5203 P33316 dUTP pyrophosphatase 83.64% 99.18%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.26% 94.00%
CHEMBL3438 Q05513 Protein kinase C zeta 82.02% 88.48%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 81.16% 90.95%
CHEMBL3137262 O60341 LSD1/CoREST complex 80.72% 97.09%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.36% 97.25%

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.
Ficus septica

Cross-Links

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PubChem 13942807
LOTUS LTS0068121
wikiData Q105163601