hydron;1H-indole

Details

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Internal ID 81c3d957-dede-43df-b309-135c5d41d901
Taxonomy Organoheterocyclic compounds > Indoles and derivatives
IUPAC Name hydron;1H-indole
SMILES (Canonical) [H+].C1=CC=C2C(=C1)C=CN2
SMILES (Isomeric) [H+].C1=CC=C2C(=C1)C=CN2
InChI InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H/p+1
InChI Key SIKJAQJRHWYJAI-UHFFFAOYSA-O
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C8H8N+
Molecular Weight 118.16 g/mol
Exact Mass 118.065674259 g/mol
Topological Polar Surface Area (TPSA) 15.80 Ų
XlogP 0.00

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of hydron;1H-indole

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 93.86% 91.11%
CHEMBL2996 Q05655 Protein kinase C delta 92.80% 97.79%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 85.59% 95.56%
CHEMBL3310 Q96DB2 Histone deacetylase 11 84.77% 88.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.17% 94.62%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 83.16% 81.14%
CHEMBL4026 P40763 Signal transducer and activator of transcription 3 80.65% 82.69%

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.
Camellia sinensis
Chimonanthus praecox
Isatis tinctoria
Strobilanthes cusia

Cross-Links

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PubChem 22035206
NPASS NPC117652