Clausine M

Details

• Internal ID: aef8fbe1-395d-4b9a-9e35-7631334623bf
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: methyl 7-hydroxy-9H-carbazole-3-carboxylate
• SMILES (Canonical): COC(=O)C1=CC2=C(C=C1)NC3=C2C=CC(=C3)O
• SMILES (Isomeric): COC(=O)C1=CC2=C(C=C1)NC3=C2C=CC(=C3)O
• InChI: InChI=1S/C14H11NO3/c1-18-14(17)8-2-5-12-11(6-8)10-4-3-9(16)7-13(10)15-12/h2-7,15-16H,1H3
• InChI Key: DLSYIZRGLJIEKT-UHFFFAOYSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₁₄H₁₁NO₃
• Molecular Weight: 241.24 g/mol
• Exact Mass: 241.07389321 g/mol
• Topological Polar Surface Area (TPSA): 62.30 Ų
• XlogP: 2.90

Synonyms

• methyl 7-hydroxy-9H-carbazole-3-carboxylate
• RefChem:126808
• CHEMBL2260661
• EX-A12777
• 250259-33-7

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	97.63%	91.11%
CHEMBL2535	P11166	Glucose transporter	94.37%	98.75%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	93.16%	94.45%
CHEMBL1951	P21397	Monoamine oxidase A	91.57%	91.49%
CHEMBL4208	P20618	Proteasome component C5	91.28%	90.00%
CHEMBL2292	Q13627	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	91.01%	93.24%
CHEMBL3060	Q9Y345	Glycine transporter 2	89.37%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	88.55%	96.09%
CHEMBL2581	P07339	Cathepsin D	86.54%	98.95%
CHEMBL1781	P11387	DNA topoisomerase I	83.58%	97.00%
CHEMBL2041	P07949	Tyrosine-protein kinase receptor RET	82.47%	91.79%
CHEMBL213	P08588	Beta-1 adrenergic receptor	82.19%	95.56%
CHEMBL1255126	O15151	Protein Mdm4	81.41%	90.20%

Plants that contains it

• Clausena excavata

Cross-Links

• PubChem: 15550280
• NPASS: NPC39679
• ChEMBL: CHEMBL2260661
• LOTUS: LTS0132750
• wikiData: Q104984688