Methanone, 1H-indol-3-yl(4-hydroxyphenyl)-

Details

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Internal ID 911f5c15-6fe6-4e54-8696-a0364150c062
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Benzoylindoles
IUPAC Name (4-hydroxyphenyl)-(1H-indol-3-yl)methanone
SMILES (Canonical) C1=CC=C2C(=C1)C(=CN2)C(=O)C3=CC=C(C=C3)O
SMILES (Isomeric) C1=CC=C2C(=C1)C(=CN2)C(=O)C3=CC=C(C=C3)O
InChI InChI=1S/C15H11NO2/c17-11-7-5-10(6-8-11)15(18)13-9-16-14-4-2-1-3-12(13)14/h1-9,16-17H
InChI Key ZMEYCFPBCKBAFT-UHFFFAOYSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C15H11NO2
Molecular Weight 237.25 g/mol
Exact Mass 237.078978594 g/mol
Topological Polar Surface Area (TPSA) 53.10 Ų
XlogP 3.40

Synonyms

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RefChem:1067206
3-(p-Hydroxybenzoyl)indole
Methanone, 1H-indol-3-yl(4-hydroxyphenyl)-
98647-12-2
(4-hydroxyphenyl)-(1H-indol-3-yl)methanone
1H-Indol-3-yl(4-hydroxyphenyl)methanone
(4-hydroxyphenyl)(1H-indol-3-yl)methanone
3-(p-hydroxybenzoyl) indole
SCHEMBL6247701
DTXSID80243751
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Methanone, 1H-indol-3-yl(4-hydroxyphenyl)-

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 95.17% 91.11%
CHEMBL2535 P11166 Glucose transporter 92.76% 98.75%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.46% 95.56%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 87.70% 94.62%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 86.68% 92.67%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.23% 99.23%
CHEMBL4208 P20618 Proteasome component C5 81.21% 90.00%
CHEMBL3091268 Q92753 Nuclear receptor ROR-beta 80.63% 95.50%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 80.25% 83.10%
CHEMBL213 P08588 Beta-1 adrenergic receptor 80.21% 95.56%

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 3062671
LOTUS LTS0220022
wikiData Q75067668