Molecule

Lissoclinotoxin A; 8-(Methylthio), N,N,O-tri-Me

AlkaPlorer ID: AK007256

Synonym: 8,9-Dimethoxy-N,N-dimethyl-7-(methylthio)-6-benzopentathiepinethanamine, N,N-Dimethyl-5-(methylthio)varacin

IUPAC Name: 2-(6,7-dimethoxy-8-methylsulfanyl-1,2,3,4,5-benzopentathiepin-9-yl)-N,N-dimethylethanamine

SMILES: COC1=C(OC)C2=C(SSSSS2)C(CCN(C)C)=C1SC

InChI: InChI=1S/C13H19NO2S6/c1-14(2)7-6-8-11(17-5)9(15-3)10(16-4)13-12(8)18-20-22-21-19-13/h6-7H2,1-5H3

InChIKey: IEMAUJASUZILRA-UHFFFAOYSA-N

PubChem CID: 10319580

LOTUS: LTS0015306

SuperNatural Ⅲ: SN0143467

NPASS: NPC226601

COCONUT: CNP0225694

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 413.7020000000002

TPSA？: 21.700000000000003

MolLogP？: 5.587200000000004

Number of H-Donors: 0

Number of H-Acceptors: 9

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Cricetulus griseus	V79	IC50	150.0	nM	10.1021/acs.jnatprod.7b00575
Escherichia coli	Escherichia coli	IZ	13.1	mm	10.1021/np060593c
Escherichia coli	Escherichia coli	IZ	14.2	mm	10.1021/acs.jnatprod.7b00575
Escherichia coli	Escherichia coli	IZ	17.1	mm	10.1021/np060593c
Homo sapiens	Protein kinase C (PKC)	IC50	0.3	ug.mL-1	10.1021/acs.jnatprod.7b00575
Mucor hiemalis	Mucor hiemalis	IZ	14.2	mm	10.1021/acs.jnatprod.7b00575
Mucor hiemalis	Mucor hiemalis	IZ	19.6	mm	10.1021/np060593c
Mucor hiemalis	Mucor hiemalis	IZ	26.2	mm	10.1021/np060593c
Ruegeria atlantica	Ruegeria atlantica	IZ	14.2	mm	10.1021/acs.jnatprod.7b00575
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	10.5	mm	10.1021/np060593c
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	14.2	mm	10.1021/acs.jnatprod.7b00575
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	15.2	mm	10.1021/np060593c
Staphylococcus aureus	Staphylococcus aureus	IZ	14.2	mm	10.1021/acs.jnatprod.7b00575
Staphylococcus aureus	Staphylococcus aureus	IZ	14.2	mm	10.1021/np060593c
None	NON-PROTEIN TARGET	EC50	150.0	nM	10.1021/np060593c
None	Unchecked	IC50	25.0	ug.mL-1	10.1021/acs.jnatprod.7b00575