Indole-3-glycerol phosphate

Details

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Internal ID f4ac72be-0dae-4eb8-9c4c-5c2d9ea595a8
Taxonomy Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles
IUPAC Name [(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
SMILES (Canonical) C1=CC=C2C(=C1)C(=CN2)C(C(COP(=O)(O)O)O)O
SMILES (Isomeric) C1=CC=C2C(=C1)C(=CN2)[C@@H]([C@@H](COP(=O)(O)O)O)O
InChI InChI=1S/C11H14NO6P/c13-10(6-18-19(15,16)17)11(14)8-5-12-9-4-2-1-3-7(8)9/h1-5,10-14H,6H2,(H2,15,16,17)/t10-,11+/m1/s1
InChI Key NQEQTYPJSIEPHW-MNOVXSKESA-N
Popularity 46 references in papers

Physical and Chemical Properties

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Molecular Formula C11H14NO6P
Molecular Weight 287.21 g/mol
Exact Mass 287.05587416 g/mol
Topological Polar Surface Area (TPSA) 123.00 Ų
XlogP -1.20

Synonyms

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(1S,2R)-1-C-(Indol-3-yl)glycerol 3-phosphate
indoleglycerol phosphate
(3-Indolyl)-glycerol phosphate
(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl dihydrogen phosphate
C1-(3-Indolyl)-glycerol 3-phosphate
CHEBI:51793
DTXSID501344224
[(2R,3S)-2,3-dihydroxy-3-(1H-indol-3-yl)propyl] dihydrogen phosphate
DB04143
C03506
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of Indole-3-glycerol phosphate

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
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 93.38% 96.09%
CHEMBL2288 Q13526 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 93.18% 91.71%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 92.79% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.99% 95.56%
CHEMBL2581 P07339 Cathepsin D 88.97% 98.95%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 88.81% 83.10%
CHEMBL255 P29275 Adenosine A2b receptor 88.11% 98.59%
CHEMBL3401 O75469 Pregnane X receptor 87.86% 94.73%
CHEMBL3230 O95977 Sphingosine 1-phosphate receptor Edg-6 87.45% 94.01%
CHEMBL3902 P09211 Glutathione S-transferase Pi 85.49% 93.81%
CHEMBL3892 Q99500 Sphingosine 1-phosphate receptor Edg-3 84.99% 97.29%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 83.94% 94.62%
CHEMBL213 P08588 Beta-1 adrenergic receptor 83.68% 95.56%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 82.45% 94.45%
CHEMBL216 P11229 Muscarinic acetylcholine receptor M1 81.59% 94.23%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.79% 89.00%

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.
Arabidopsis thaliana

Cross-Links

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PubChem 444150
LOTUS LTS0091517
wikiData Q27094983