Molecule

Syringolin

AlkaPlorer ID: AK026039

Synonym: None

IUPAC Name: (2S)-2-[[(2S)-1-[[(3E,5S,8S,9E)-2,7-dioxo-5-propan-2-yl-1,6-diazacyclododeca-3,9-dien-8-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamoylamino]-3-methylbutanoic acid

Structure

SMILES: CC(C)[C@H](N=C(O)N[C@H](C(=O)O)C(C)C)C(O)=N[C@H]1/C=C/CCN=C(O)/C=C/[C@H](C(C)C)N=C1O

InChI: InChI=1S/C24H39N5O6/c1-13(2)16-10-11-18(30)25-12-8-7-9-17(21(31)26-16)27-22(32)19(14(3)4)28-24(35)29-20(15(5)6)23(33)34/h7,9-11,13-17,19-20H,8,12H2,1-6H3,(H,25,30)(H,26,31)(H,27,32)(H,33,34)(H2,28,29,35)/b9-7+,11-10+/t16-,17+,19+,20+/m1/s1

InChIKey: RUWSLQOIGKYPEZ-YPXRAQKDSA-N

Reference

Functional Analysis of Genes Involved in the Synthesis of Syringolin A by <i>Pseudomonas syringae</i> pv. <i>syringae</i> B301D-R

PubChem CID: 42601513

LOTUS: LTS0258506

NPASS: NPC320057

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Pseudomonas syringae	Pseudomonas	Pseudomonadaceae	Pseudomonadales	Gammaproteobacteria	Pseudomonadota	None	Bacteria

Properties Information

Molecule Weight: 493.6050000000002

TPSA？: 179.68999999999997

MolLogP？: 3.4026000000000023

Number of H-Donors: 6

Number of H-Acceptors: 5

RingCount: 1

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	Proteasome Macropain subunit MB1	Ki	843.0	nM	10.1016/j.bmcl.2015.06.015
None	NON-PROTEIN TARGET	IC50	8500.0	nM	10.1016/j.bmcl.2015.06.015