5-Hydroxyindole

Details

• Internal ID: 1f628076-3a61-4033-99d2-a5ead6cf7e4a
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Hydroxyindoles
• IUPAC Name: 1H-indol-5-ol
• SMILES (Canonical): C1=CC2=C(C=CN2)C=C1O
• SMILES (Isomeric): C1=CC2=C(C=CN2)C=C1O
• InChI: InChI=1S/C8H7NO/c10-7-1-2-8-6(5-7)3-4-9-8/h1-5,9-10H
• InChI Key: LMIQERWZRIFWNZ-UHFFFAOYSA-N
• Popularity: 1,233 references in papers

Physical and Chemical Properties

• Molecular Formula: C₈H₇NO
• Molecular Weight: 133.15 g/mol
• Exact Mass: 133.052763847 g/mol
• Topological Polar Surface Area (TPSA): 36.00 Ų
• XlogP: 2.00

Synonyms

• 1H-Indol-5-ol
• 1953-54-4
• INDOL-5-OL
• 5-Hydroxy-1H-indole
• Hydroxy-5 indole
• MFCD00005677
• Hydroxy-5 indole [French]
• CCRIS 4422
• EINECS 217-782-6
• NSC 87503
• NSC-87503
• UNII-320UN7XZYN
• BRN 0112349
• 320UN7XZYN
• Hydroxy-5 indole [French]
• CHEBI:89649
• 5-21-03-00018 (Beilstein Handbook Reference)
• 5-hydroxy-indole
• 5-hydroxylindole
• 5-hydroxy-indol
• 5-hydroxy indole
• 3fuh
• 5H1
• 1h-indole-5-ol
• 5Hydroxy-1H-indole
• 1-H-indol-5-ol
• 1H-indol-5-ol.
• 4b3c
• 5-Hydroxyindole, 97%
• D00EJS
• NCIOpen2_001272
• WLN: T56 BMJ GQ
• SCHEMBL50566
• cid_16054
• MLS000039632
• 5-HI
• CHEMBL404923
• GTPL2295
• BDBM32212
• DTXSID00173187
• HMS2188A10
• KUC106613N
• BCP27601
• KSC-09-215B
• NSC87503
• (R)-(+)-7-Methoxy2-aminotetralin
• BBL036782
• STK580144
• AKOS005206937
• AB00494
• AC-5464
• CS-W001160
• HY-W001160
• PS-3277
• LS-83645
• PD050590
• SMR000037055
• SY008069
• AM20030268
• FT-0601202
• FT-0653849
• H0252
• EN300-79057
• H-6044
• H-6048
• Q27073984
• Z1203162319

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL2903	P16050	Arachidonate 15-lipoxygenase	10000 nM	Potency	via CMAUP
CHEMBL2608	P10253	Lysosomal alpha-glucosidase	14125.4 nM	Potency	via CMAUP
CHEMBL5162	Q6W5P4	Neuropeptide S receptor	5011.9 nM	Potency	via CMAUP
CHEMBL1293227	O75604	Ubiquitin carboxyl-terminal hydrolase 2	7943.3 nM	Potency	via CMAUP

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	96.95%	91.11%
CHEMBL2996	Q05655	Protein kinase C delta	94.91%	97.79%
CHEMBL242	Q92731	Estrogen receptor beta	88.51%	98.35%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	86.12%	91.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.71%	94.45%
CHEMBL2535	P11166	Glucose transporter	83.80%	98.75%
CHEMBL4208	P20618	Proteasome component C5	81.95%	90.00%
CHEMBL3830	Q2M2I8	Adaptor-associated kinase	81.50%	83.10%
CHEMBL2581	P07339	Cathepsin D	81.22%	98.95%
CHEMBL213	P08588	Beta-1 adrenergic receptor	81.15%	95.56%
CHEMBL4101	P17612	cAMP-dependent protein kinase alpha-catalytic subunit	81.13%	82.86%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	80.81%	85.49%

Plants that contains it

• Conioselinum anthriscoides
• Ligusticum officinale
• Ligusticum striatum

Cross-Links

• PubChem: 16054
• NPASS: NPC184964
• ChEMBL: CHEMBL404923