Molecule

Orbicularisine

AlkaPlorer ID: AK143823

Synonym: None

IUPAC Name: 1',1'-dioxospiro[1H-indole-3,7'-3,4-dihydro-2H-furo[3,4-b][1,4]thiazine]-2,5'-dione

Structure

SMILES: O=C1OC2(C(O)=NC3=CC=CC=C32)C2=C1NCCS2(=O)=O

InChI: InChI=1S/C13H10N2O5S/c16-11-9-10(21(18,19)6-5-14-9)13(20-11)7-3-1-2-4-8(7)15-12(13)17/h1-4,14H,5-6H2,(H,15,17)

InChIKey: LZRQDPVWYZZVBV-UHFFFAOYSA-N

Reference

Genome Sequence of the Milbemycin-Producing Bacterium <i>Streptomyces</i> <i>bingchenggensis</i>

PubChem CID: 145961921

NPASS: NPC481364

COCONUT: CNP0431344

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Codakia orbicularis	Codakia	Lucinidae	Lucinida	Bivalvia	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 306.29900000000004

TPSA？: 105.06

MolLogP？: 0.2699000000000001

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Enterococcus faecalis	Enterococcus faecalis	Activity	nan	None	10.1021/acs.jnatprod.7b00149
Escherichia coli	Escherichia coli	Activity	nan	None	10.1021/acs.jnatprod.7b00149
Homo sapiens	CDK2/Cyclin A2	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Homo sapiens	CDK9/cyclin T1	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Homo sapiens	Cyclin-dependent kinase 5/CDK5 activator 1	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Homo sapiens	HCT-116	Activity	nan	None	10.1021/acs.jnatprod.7b00149
Homo sapiens	Receptor-interacting serine/threonine-protein kinase 3	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Homo sapiens	Serine/threonine-protein kinase Aurora-B	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Homo sapiens	Serine/threonine-protein kinase haspin	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Homo sapiens	Serine/threonine-protein kinase PIM1	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Homo sapiens	U-87 MG	Activity	nan	None	10.1021/acs.jnatprod.7b00149
Klebsiella pneumoniae	Klebsiella pneumoniae	Activity	nan	None	10.1021/acs.jnatprod.7b00149
Leishmania major	Putative casein kinase I	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Activity	nan	None	10.1021/acs.jnatprod.7b00149
Rattus norvegicus	Dual specificity tyrosine-phosphorylation-regulated kinase 1A	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
Streptococcus pneumoniae	Streptococcus pneumoniae	Activity	nan	None	10.1021/acs.jnatprod.7b00149
Sus scrofa	Glycogen synthase kinase-3	Activity	60.0	%	10.1021/acs.jnatprod.7b00149
None	Unchecked	Activity	60.0	%	10.1021/acs.jnatprod.7b00149