3,4,5,6-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine

Details

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Internal ID 8d35f606-5403-474c-a893-b7029a9a85da
Taxonomy Benzenoids > Phenanthrenes and derivatives > Phenanthroindolizidines
IUPAC Name 3,4,5,6-tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C24H27NO4/c1-26-19-9-7-15-17-12-14-6-5-11-25(14)13-18(17)16-8-10-20(27-2)24(29-4)22(16)21(15)23(19)28-3/h7-10,14H,5-6,11-13H2,1-4H3
InChI Key FAGLRYVRVBPJIP-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C24H27NO4
Molecular Weight 393.50 g/mol
Exact Mass 393.19400834 g/mol
Topological Polar Surface Area (TPSA) 40.20 Ų
XlogP 4.70

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,4,5,6-Tetramethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine

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
CHEMBL5608 Q16288 NT-3 growth factor receptor 95.28% 95.89%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 93.39% 89.62%
CHEMBL5747 Q92793 CREB-binding protein 93.24% 95.12%
CHEMBL3438 Q05513 Protein kinase C zeta 92.46% 88.48%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 92.13% 96.09%
CHEMBL264 Q9Y5N1 Histamine H3 receptor 91.93% 91.43%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.34% 95.56%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 90.02% 90.95%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 89.04% 94.45%
CHEMBL2535 P11166 Glucose transporter 88.40% 98.75%
CHEMBL3137262 O60341 LSD1/CoREST complex 87.16% 97.09%
CHEMBL1293249 Q13887 Kruppel-like factor 5 86.48% 86.33%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.73% 93.99%
CHEMBL5203 P33316 dUTP pyrophosphatase 84.68% 99.18%
CHEMBL2581 P07339 Cathepsin D 83.33% 98.95%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 83.02% 94.00%
CHEMBL2069156 Q14145 Kelch-like ECH-associated protein 1 82.60% 82.38%
CHEMBL4302 P08183 P-glycoprotein 1 81.55% 92.98%
CHEMBL1907 P15144 Aminopeptidase N 80.32% 93.31%

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 15627984
LOTUS LTS0071828
wikiData Q104992248