Maniwamycin A

Details

• Internal ID: 31fb78dc-5d2e-40d5-8752-7254068602c6
• Taxonomy: Organic 1,3-dipolar compounds > Allyl-type 1,3-dipolar organic compounds > Azoxy compounds
• IUPAC Name: [(E)-hex-1-enyl]-oxido-[(2S)-3-oxobutan-2-yl]iminoazanium
• SMILES (Canonical): CCCCC=C[N+](=NC(C)C(=O)C)[O-]
• SMILES (Isomeric): CCCC/C=C/[N+](=N[C@@H](C)C(=O)C)[O-]
• InChI: InChI=1S/C10H18N2O2/c1-4-5-6-7-8-12(14)11-9(2)10(3)13/h7-9H,4-6H2,1-3H3/b8-7+,12-11?/t9-/m0/s1
• InChI Key: WFHYSKXBQMLHKH-JFLSSZQFSA-N
• Popularity: 2 references in papers

Physical and Chemical Properties

• Molecular Formula: C₁₀H₁₈N₂O₂
• Molecular Weight: 198.26 g/mol
• Exact Mass: 198.136827821 g/mol
• Topological Polar Surface Area (TPSA): 58.20 Ų
• XlogP: 2.40

Synonyms

• 122566-70-5
• Antibiotic KA 7367A
• KA 7367A
• BRN 4308506
• (S-(Z,E))-3-(1-Hexenyl-ONN-azoxy)-2-butanone
• (-)-Maniwamycin A; Antibiotic KA 7367A; KA 7367A
• 2-Butanone, 3-(1-hexenyl-ONN-azoxy)-, (S-(Z,E))-
• [(E)-hex-1-enyl]-oxido-[(2S)-3-oxobutan-2-yl]iminoazanium

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	96.40%	98.95%
CHEMBL3060	Q9Y345	Glycine transporter 2	93.71%	99.17%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	91.96%	96.09%
CHEMBL3892	Q99500	Sphingosine 1-phosphate receptor Edg-3	90.29%	97.29%
CHEMBL3359	P21462	Formyl peptide receptor 1	88.87%	93.56%
CHEMBL2955	O95136	Sphingosine 1-phosphate receptor Edg-5	86.86%	92.86%
CHEMBL4793	Q86TI2	Dipeptidyl peptidase IX	84.39%	96.95%
CHEMBL1907605	P24864	Cyclin-dependent kinase 2/cyclin E1	82.00%	92.88%
CHEMBL1907591	P30926	Neuronal acetylcholine receptor; alpha4/beta4	81.43%	100.00%
CHEMBL2111367	P27986	PI3-kinase p110-alpha/p85-alpha	80.92%	94.33%
CHEMBL1907602	P06493	Cyclin-dependent kinase 1/cyclin B1	80.89%	91.24%
CHEMBL3976	Q9UHL4	Dipeptidyl peptidase II	80.55%	92.29%

Plants that contains it

• Strychnos icaja

Cross-Links

• PubChem: 6439127
• LOTUS: LTS0103441
• wikiData: Q104991183