1H-Indole, 3,3'-ethylidenebis-

Details

Top
Internal ID 8c445054-928c-4fab-bbb1-79b390369136
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
IUPAC Name 3-[1-(1H-indol-3-yl)ethyl]-1H-indole
SMILES (Canonical) CC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43
SMILES (Isomeric) CC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43
InChI InChI=1S/C18H16N2/c1-12(15-10-19-17-8-4-2-6-13(15)17)16-11-20-18-9-5-3-7-14(16)18/h2-12,19-20H,1H3
InChI Key WOJBBIJJRKFKOJ-UHFFFAOYSA-N
Popularity 11 references in papers

Physical and Chemical Properties

Top
Molecular Formula C18H16N2
Molecular Weight 260.30 g/mol
Exact Mass 260.131348519 g/mol
Topological Polar Surface Area (TPSA) 31.60 Ų
XlogP 4.40

Synonyms

Top
3-[1-(1H-indol-3-yl)ethyl]-1H-indole
1,1-bis(3'-indolyl)ethane
3-(1-(1H-indol-3-yl)ethyl)-1H-indole
RefChem:934017
5030-91-1
3,3'-(Ethane-1,1-diyl)bis(1H-indole)
1H-Indole, 3,3'-ethylidenebis-
3,3'-Ethylidenebis-1H-indole
MFCD30063681
MLS003874744
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

Top
2D Structure of 1H-Indole, 3,3'-ethylidenebis-

3D Structure

Top

ADMET Properties (via admetSAR 2)

Top
Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

Top

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
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 93.41% 83.10%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.42% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.91% 98.95%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.41% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 85.48% 94.62%
CHEMBL3310 Q96DB2 Histone deacetylase 11 85.30% 88.56%
CHEMBL3401 O75469 Pregnane X receptor 84.46% 94.73%
CHEMBL3155 P34969 Serotonin 7 (5-HT7) receptor 84.15% 90.71%
CHEMBL2996 Q05655 Protein kinase C delta 83.48% 97.79%
CHEMBL2535 P11166 Glucose transporter 82.30% 98.75%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 82.03% 96.09%
CHEMBL213 P08588 Beta-1 adrenergic receptor 81.21% 95.56%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 80.34% 92.67%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 80.23% 94.45%

Plants that contains it

Top
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.
There are no matching plants.

Cross-Links

Top
PubChem 6452189
LOTUS LTS0131710
wikiData Q77564960