Clausine K

Details

• Internal ID: db57634b-13d9-4329-948b-7cbe7a933845
• Taxonomy: Organoheterocyclic compounds > Indoles and derivatives > Carbazoles
• IUPAC Name: 2,7-dimethoxy-9H-carbazole-3-carboxylic acid
• SMILES (Canonical): COC1=CC2=C(C=C1)C3=CC(=C(C=C3N2)OC)C(=O)O
• SMILES (Isomeric): COC1=CC2=C(C=C1)C3=CC(=C(C=C3N2)OC)C(=O)O
• InChI: InChI=1S/C15H13NO4/c1-19-8-3-4-9-10-6-11(15(17)18)14(20-2)7-13(10)16-12(9)5-8/h3-7,16H,1-2H3,(H,17,18)
• InChI Key: LDKCHJXUOLZQQV-UHFFFAOYSA-N
• Popularity: 6 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₅H₁₃NO₄
• Molecular Weight: 271.27 g/mol
• Exact Mass: 271.08445790 g/mol
• Topological Polar Surface Area (TPSA): 71.60 Ų
• XlogP: 2.90

Synonyms

• 2,7-Dimethoxy-9H-carbazole-3-carboxylic acid
• CHEBI:69938
• 182261-96-7
• CHEMBL1689806
• SCHEMBL17817139
• DTXSID801318460
• Q27138281

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
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.17%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.51%	94.45%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	94.40%	95.56%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	93.93%	91.11%
CHEMBL2535	P11166	Glucose transporter	92.66%	98.75%
CHEMBL4208	P20618	Proteasome component C5	89.92%	90.00%
CHEMBL3060	Q9Y345	Glycine transporter 2	87.76%	99.17%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	86.76%	94.00%
CHEMBL3714130	P46095	G-protein coupled receptor 6	85.41%	97.36%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.40%	86.33%
CHEMBL3807	P17706	T-cell protein-tyrosine phosphatase	84.12%	93.00%
CHEMBL1907	P15144	Aminopeptidase N	82.53%	93.31%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.46%	95.50%
CHEMBL2581	P07339	Cathepsin D	81.13%	98.95%
CHEMBL2292	Q13627	Dual-specificity tyrosine-phosphorylation regulated kinase 1A	81.10%	93.24%
CHEMBL213	P08588	Beta-1 adrenergic receptor	81.04%	95.56%
CHEMBL1811	P34995	Prostanoid EP1 receptor	80.37%	95.71%
CHEMBL1868	P17948	Vascular endothelial growth factor receptor 1	80.32%	96.47%

Plants that contains it

• Bulbine asphodeloides
• Cicer cuneatum
• Clausena anisata
• Clausena excavata
• Clausena harmandiana
• Croton hutchinsonianus
• Delphinium speciosum
• Griselinia scandens
• Gutenbergia cordifolia var. marginata
• Helicia nilagirica
• Ipomoea carnea
• Iris sanguinea
• Mesosphaerum urticodes
• Monachosorum maximowiczii
• Nardia scalaris
• Podocalyx loranthoides
• Rhododendron edgeworthii
• Trixis grisebachii
• Yucca elata

Cross-Links

• PubChem: 504070
• NPASS: NPC174760
• ChEMBL: CHEMBL1689806
• LOTUS: LTS0172703
• wikiData: Q27138281