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Cladoniamide G

Table of Contents

Details
Physical and Chemical Properties
Synonyms
2D Structure
3D Structure
ADMET Properties
Targets (proven and/or predicted)
Plants that contains it
Cross-Links

Details

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Internal ID c043efa3-a640-4036-bbac-d9316d93840b
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines
IUPAC Name (11R)-7,17-dichloro-11-hydroxy-20-methoxy-N-methyl-12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14(19),15,17-octaene-11-carboxamide
SMILES (Canonical) CNC(=O)C1(C2=C(C3=C(C4=C(N3C1=O)C=CC(=C4)Cl)OC)NC5=C2C=C(C=C5)Cl)O
SMILES (Isomeric) CNC(=O)[C@@]1(C2=C(C3=C(C4=C(N3C1=O)C=CC(=C4)Cl)OC)NC5=C2C=C(C=C5)Cl)O
InChI InChI=1S/C21H15Cl2N3O4/c1-24-19(27)21(29)15-11-7-9(22)3-5-13(11)25-16(15)17-18(30-2)12-8-10(23)4-6-14(12)26(17)20(21)28/h3-8,25,29H,1-2H3,(H,24,27)/t21-/m1/s1
InChI Key IHIARQAFKOOAQT-OAQYLSRUSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C21H15Cl2N3O4
Molecular Weight 444.30 g/mol
Exact Mass 443.0439614 g/mol
Topological Polar Surface Area (TPSA) 96.40 Ų
XlogP 3.90

Synonyms

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CHEBI:65639
(7R)-2,9-dichloro-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-pyrido[1,2-a:3,4-b']diindole-7-carboxamide
(11R)-7,17-dichloro-11-hydroxy-20-methoxy-N-methyl-12-oxo-3,13-diazapentacyclo(11.7.0.02,10.04,9.014,19)icosa-1(20),2(10),4(9),5,7,14(19),15,17-octaene-11-carboxamide
(11R)-7,17-dichloro-11-hydroxy-20-methoxy-N-methyl-12-oxo-3,13-diazapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(20),2(10),4(9),5,7,14(19),15,17-octaene-11-carboxamide
(7R)-2,9-dichloro-7-hydroxy-13-methoxy-N-methyl-6-oxo-7,12-dihydro-6H-pyrido(1,2-a:3,4-b')diindole-7-carboxamide
RefChem:918773
DTXSID601107736
1041752-02-6
Q27134109
(7R)-2,9-Dichloro-7,12-dihydro-7-hydroxy-13-methoxy-N-methyl-6-oxo-6H-pyrido[1,2-a:3,4-ba(2)]diindole-7-carboxamide

2D Structure

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2D Structure of Cladoniamide G

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
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 99.24% 94.45%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 96.30% 85.14%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.25% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 95.31% 95.56%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 94.22% 96.09%
CHEMBL2581 P07339 Cathepsin D 92.79% 98.95%
CHEMBL5852 Q96P65 Pyroglutamylated RFamide peptide receptor 92.23% 85.00%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 92.13% 94.00%
CHEMBL4016 P42262 Glutamate receptor ionotropic, AMPA 2 92.13% 86.92%
CHEMBL4208 P20618 Proteasome component C5 90.16% 90.00%
CHEMBL2535 P11166 Glucose transporter 89.90% 98.75%
CHEMBL255 P29275 Adenosine A2b receptor 89.77% 98.59%
CHEMBL2094127 P06493 Cyclin-dependent kinase 1/cyclin B 89.42% 96.00%
CHEMBL2047 Q96RI1 Bile acid receptor FXR 88.93% 96.10%
CHEMBL3976 Q9UHL4 Dipeptidyl peptidase II 88.72% 92.29%
CHEMBL1907605 P24864 Cyclin-dependent kinase 2/cyclin E1 87.60% 92.88%
CHEMBL340 P08684 Cytochrome P450 3A4 87.34% 91.19%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 85.64% 92.62%
CHEMBL3492 P49721 Proteasome Macropain subunit 83.32% 90.24%
CHEMBL218 P21554 Cannabinoid CB1 receptor 81.47% 96.61%
CHEMBL1293249 Q13887 Kruppel-like factor 5 81.39% 86.33%

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 25053150
LOTUS LTS0096265
wikiData Q27134109