Cladosin H

Details

• Internal ID: 372a1172-192a-4436-ac97-a44bde8c1072
• Taxonomy: Benzenoids > Benzene and substituted derivatives
• IUPAC Name: 4-hydroxy-3-[C-[(2S,4S)-4-hydroxy-2-methoxypentyl]-N-phenylcarbonimidoyl]-5-propan-2-ylidenepyrrol-2-one
• SMILES (Canonical): CC(CC(CC(=NC1=CC=CC=C1)C2=C(C(=C(C)C)NC2=O)O)OC)O
• SMILES (Isomeric): C[C@@H](C[C@H](CC(=NC1=CC=CC=C1)C2=C(C(=C(C)C)NC2=O)O)OC)O
• InChI: InChI=1S/C20H26N2O4/c1-12(2)18-19(24)17(20(25)22-18)16(11-15(26-4)10-13(3)23)21-14-8-6-5-7-9-14/h5-9,13,15,23-24H,10-11H2,1-4H3,(H,22,25)/t13-,15+/m0/s1
• InChI Key: OWHMOWSDDNPFFS-DZGCQCFKSA-N
• Popularity: 1 reference in papers

Physical and Chemical Properties

• Molecular Formula: C₂₀H₂₆N₂O₄
• Molecular Weight: 358.40 g/mol
• Exact Mass: 358.18925731 g/mol
• Topological Polar Surface Area (TPSA): 91.20 Ų
• XlogP: 2.20

Synonyms

• 4-hydroxy-3-[C-[(2S,4S)-4-hydroxy-2-methoxypentyl]-N-phenylcarbonimidoyl]-5-propan-2-ylidenepyrrol-2-one
• 4-hydroxy-3-(C-((2S,4S)-4-hydroxy-2-methoxypentyl)-N-phenylcarbonimidoyl)-5-propan-2-ylidenepyrrol-2-one
• RefChem:126705
• (E)-cladosin H
• (Z)-cladosin H
• CHEMBL4172118
• CHEBI:209979

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	99.09%	91.11%
CHEMBL2581	P07339	Cathepsin D	98.29%	98.95%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	96.42%	96.09%
CHEMBL1821	P08173	Muscarinic acetylcholine receptor M4	94.35%	94.08%
CHEMBL4261	Q16665	Hypoxia-inducible factor 1 alpha	93.17%	85.14%
CHEMBL2035	P08912	Muscarinic acetylcholine receptor M5	89.89%	94.62%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	89.15%	95.56%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	85.94%	94.45%
CHEMBL3401	O75469	Pregnane X receptor	84.96%	94.73%
CHEMBL1293249	Q13887	Kruppel-like factor 5	84.32%	86.33%
CHEMBL2535	P11166	Glucose transporter	83.83%	98.75%
CHEMBL4208	P20618	Proteasome component C5	82.20%	90.00%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	80.62%	96.00%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	80.43%	95.50%

Plants that contains it

There are no matching plants.

Cross-Links

• PubChem: 139590072
• LOTUS: LTS0008957
• wikiData: Q105202016