Ypaoamide A

Details

• Internal ID: 5a6bf578-1e77-4297-b594-f68d0f94a82b
• Taxonomy: Benzenoids > Phenols > 1-hydroxy-2-unsubstituted benzenoids
• IUPAC Name: N-[(E)-5-[(2S)-2-[(4-hydroxyphenyl)methyl]-5-oxo-2H-pyrrol-1-yl]-3-methoxy-5-oxopent-3-enyl]-6,6-dimethylheptanamide
• SMILES (Canonical): CC(C)(C)CCCCC(=O)NCCC(=CC(=O)N1C(C=CC1=O)CC2=CC=C(C=C2)O)OC
• SMILES (Isomeric): CC(C)(C)CCCCC(=O)NCC/C(=C\C(=O)N1[C@H](C=CC1=O)CC2=CC=C(C=C2)O)/OC
• InChI: InChI=1S/C26H36N2O5/c1-26(2,3)15-6-5-7-23(30)27-16-14-22(33-4)18-25(32)28-20(10-13-24(28)31)17-19-8-11-21(29)12-9-19/h8-13,18,20,29H,5-7,14-17H2,1-4H3,(H,27,30)/b22-18+/t20-/m1/s1
• InChI Key: ATTMLQCPKPSEGH-FCKILEINSA-N
• Popularity: 0 references in papers

Physical and Chemical Properties

• Molecular Formula: C₂₆H₃₆N₂O₅
• Molecular Weight: 456.60 g/mol
• Exact Mass: 456.26242225 g/mol
• Topological Polar Surface Area (TPSA): 95.90 Ų
• XlogP: 4.10

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
CHEMBL2581	P07339	Cathepsin D	99.40%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	97.67%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.31%	96.09%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.49%	94.45%
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	95.15%	91.11%
CHEMBL5852	Q96P65	Pyroglutamylated RFamide peptide receptor	90.37%	85.00%
CHEMBL2179	P04062	Beta-glucocerebrosidase	89.79%	85.31%
CHEMBL2107	P61073	C-X-C chemokine receptor type 4	89.55%	93.10%
CHEMBL1907603	Q05586	Glutamate NMDA receptor; GRIN1/GRIN2B	88.00%	95.89%
CHEMBL3401	O75469	Pregnane X receptor	86.60%	94.73%
CHEMBL5966	P55899	IgG receptor FcRn large subunit p51	85.92%	90.93%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	84.86%	95.56%
CHEMBL2274	Q9H228	Sphingosine 1-phosphate receptor Edg-8	83.23%	100.00%
CHEMBL1744525	P43490	Nicotinamide phosphoribosyltransferase	82.87%	96.25%
CHEMBL2535	P11166	Glucose transporter	82.51%	98.75%
CHEMBL2563	Q9UQL6	Histone deacetylase 5	82.43%	89.67%
CHEMBL1293249	Q13887	Kruppel-like factor 5	82.15%	86.33%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	82.09%	95.50%
CHEMBL4478	Q00975	Voltage-gated N-type calcium channel alpha-1B subunit	81.29%	97.14%
CHEMBL3713062	P10646	Tissue factor pathway inhibitor	80.38%	97.33%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	80.06%	92.88%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 44471103
• LOTUS: LTS0015254
• wikiData: Q104918678