3-Methyl-9H-carbazol-1-ol

Details

• Internal ID: 727d0e11-6cb9-4c38-b327-e6b666a998b1
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: 3-methyl-9H-carbazol-1-ol
• SMILES (Canonical): CC1=CC2=C(C(=C1)O)NC3=CC=CC=C32
• SMILES (Isomeric): CC1=CC2=C(C(=C1)O)NC3=CC=CC=C32
• InChI: InChI=1S/C13H11NO/c1-8-6-10-9-4-2-3-5-11(9)14-13(10)12(15)7-8/h2-7,14-15H,1H3
• InChI Key: IKITXHOOBOBUFJ-UHFFFAOYSA-N
• Popularity: 7 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₃H₁₁NO
• Molecular Weight: 197.23 g/mol
• Exact Mass: 197.084063974 g/mol
• Topological Polar Surface Area (TPSA): 36.00 Ų
• XlogP: 3.40

Synonyms

• 1-hydroxy-3-methyl-9h-carbazole
• 14960-81-7
• 1-hydroxy-3-methylcarbazole
• 2,2'-(1,4-Phenylene)bis(5-phenyl-Oxazole
• 2,2'-(1,4-Phenylene)bis[5-phenyl-Oxazole
• 9H-Carbazol-1-ol, 3-methyl-
• Q5H4JS4F3D
• 3-Methyl-9H-carbazol-1-ol #
• 1-Hydroxy-3-methyl-9H-carbazol
• CHEBI:173545
• IKITXHOOBOBUFJ-UHFFFAOYSA-N
• DTXSID901312546
• 2,2'-p-Phenylenebis[5-phenyl-Oxazole
• 2,2'-p-Phenylene-bis(5-phenyloxazole)
• 1,4-bis-(5-PHENYLOXAZOL-2-YL)BENZENE
• 1,4-BIS-2-(5-PHNYLOXAZOLYL)BENZENE
• Oxazole, 2,2'-p-phenylenebis(5-phenyl- (8CI)

2D Structure

ADMET Properties (via admetSAR 2)

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

Targets

Proven Targets:

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	97.47%	91.11%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.27%	95.56%
CHEMBL1951	P21397	Monoamine oxidase A	93.43%	91.49%
CHEMBL1937	Q92769	Histone deacetylase 2	93.19%	94.75%
CHEMBL3192	Q9BY41	Histone deacetylase 8	92.28%	93.99%
CHEMBL2581	P07339	Cathepsin D	91.62%	98.95%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	87.87%	94.62%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	86.39%	85.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.29%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	85.93%	94.73%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	84.92%	91.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	83.94%	96.09%
CHEMBL213	P08588	Beta-1 adrenergic receptor	82.84%	95.56%
CHEMBL4145	Q9UKV0	Histone deacetylase 9	81.82%	85.49%
CHEMBL5409	Q8TDU6	G-protein coupled bile acid receptor 1	81.29%	93.65%

Plants that contains it

• Murraya koenigii

Cross-Links

• PubChem: 607542
• LOTUS: LTS0077824
• wikiData: Q105114669