Ulofabczpkmtrn-cmdggobgsa-

Details

• Internal ID: b6acb9c5-5dce-4b8e-a7b7-eb4d6cd6c32a
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: methyl 1-hydroxy-4-[(E)-3-hydroxy-3-methylbut-1-enyl]-9H-carbazole-3-carboxylate
• InChI: InChI=1S/C19H19NO4/c1-19(2,23)9-8-11-13(18(22)24-3)10-15(21)17-16(11)12-6-4-5-7-14(12)20-17/h4-10,20-21,23H,1-3H3/b9-8+
• InChI Key: ULOFABCZPKMTRN-CMDGGOBGSA-N
• Popularity: 3 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₉H₁₉NO₄
• Molecular Weight: 325.40 g/mol
• Exact Mass: 325.13140809 g/mol
• Topological Polar Surface Area (TPSA): 82.60 Ų
• XlogP: 3.20

Synonyms

• InChI=1/C19H19NO4/c1-19(2,23)9-8-11-13(18(22)24-3)10-15(21)17-16(11)12-6-4-5-7-14(12)20-17/h4-10,20-21,23H,1-3H3/b9-8+

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	99.10%	91.11%
CHEMBL2581	P07339	Cathepsin D	94.84%	98.95%
CHEMBL1951	P21397	Monoamine oxidase A	94.56%	91.49%
CHEMBL3401	O75469	Pregnane X receptor	93.47%	94.73%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.25%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	91.99%	94.45%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.36%	96.09%
CHEMBL2535	P11166	Glucose transporter	90.71%	98.75%
CHEMBL1907600	Q00535	Cyclin-dependent kinase 5/CDK5 activator 1	89.05%	93.03%
CHEMBL2708	Q16584	Mitogen-activated protein kinase kinase kinase 11	88.09%	81.14%
CHEMBL1806	P11388	DNA topoisomerase II alpha	86.22%	89.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.64%	96.00%

Plants that contains it

• Clausena anisata

Cross-Links

• PubChem: 10829895
• LOTUS: LTS0236157
• wikiData: Q104400806