Kahakamide A

Details

• Internal ID: 8bbb3292-b865-4a48-9b3f-70f9450baa68
• Taxonomy: Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glucuronides > N-glucuronides
• IUPAC Name: methyl (2S,4S,5S,6S)-6-[3-(2-amino-2-oxoethyl)-4-methoxyindol-1-yl]-4,5-dihydroxyoxane-2-carboxylate
• SMILES (Canonical): COC1=CC=CC2=C1C(=CN2C3C(C(CC(O3)C(=O)OC)O)O)CC(=O)N
• SMILES (Isomeric): COC1=CC=CC2=C1C(=CN2[C@@H]3[C@H]([C@H](C[C@H](O3)C(=O)OC)O)O)CC(=O)N
• InChI: InChI=1S/C18H22N2O7/c1-25-12-5-3-4-10-15(12)9(6-14(19)22)8-20(10)17-16(23)11(21)7-13(27-17)18(24)26-2/h3-5,8,11,13,16-17,21,23H,6-7H2,1-2H3,(H2,19,22)/t11-,13-,16-,17-/m0/s1
• InChI Key: YMYPXKZOERIPRK-SCTFDZSOSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₈H₂₂N₂O₇
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.14270105 g/mol
• Topological Polar Surface Area (TPSA): 133.00 Ų
• XlogP: -0.40

Synonyms

There are no found synonyms.

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	99.01%	96.09%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.01%	86.33%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	93.60%	95.56%
CHEMBL3137262	O60341	LSD1/CoREST complex	92.21%	97.09%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	92.14%	91.11%
CHEMBL225	P28335	Serotonin 2c (5-HT2c) receptor	91.67%	89.62%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	90.09%	85.14%
CHEMBL253	P34972	Cannabinoid CB2 receptor	89.78%	97.25%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	89.14%	96.00%
CHEMBL5608	Q16288	NT-3 growth factor receptor	89.03%	95.89%
CHEMBL220	P22303	Acetylcholinesterase	88.90%	94.45%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	87.18%	96.95%
CHEMBL2535	P11166	Glucose transporter	86.52%	98.75%
CHEMBL2581	P07339	Cathepsin D	86.39%	98.95%
CHEMBL3474	P14555	Phospholipase A2 group IIA	85.81%	94.05%
CHEMBL2635	P51452	Dual specificity protein phosphatase 3	82.95%	94.00%
CHEMBL3891	P07384	Calpain 1	82.31%	93.04%
CHEMBL4657	Q6V1X1	Dipeptidyl peptidase VIII	82.11%	97.21%
CHEMBL5028	O14672	ADAM10	82.06%	97.50%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.83%	97.14%
CHEMBL3060	Q9Y345	Glycine transporter 2	81.72%	99.17%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	81.45%	94.33%
CHEMBL3476	O15111	Inhibitor of nuclear factor kappa B kinase alpha subunit	81.38%	95.83%
CHEMBL1806	P11388	DNA topoisomerase II alpha	80.55%	89.00%

Plants that contains it

• Carthamus tinctorius

Cross-Links

• PubChem: 10339609
• LOTUS: LTS0062412
• wikiData: Q105262822