Molecule

Varacin A; 5-(Methylthio), N,N-di-Me

AlkaPlorer ID: AK018176

Synonym: 6,7-Dimethoxy-N,N-dimethyl-5-(methylthio)-4-benzotrithioleethanamine, 6-(2-Aminoethyl)-3,4-dimethoxybenzotrithiane

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

SMILES: COC1=C(OC)C2=C(SSS2)C(CCN(C)C)=C1SC

InChI: InChI=1S/C13H19NO2S4/c1-14(2)7-6-8-11(17-5)9(15-3)10(16-4)13-12(8)18-20-19-13/h6-7H2,1-5H3

InChIKey: VDPRVSQPQCVGDF-UHFFFAOYSA-N

PubChem CID: 9997973

LOTUS: LTS0087519

SuperNatural Ⅲ: SN0387493

NPASS: NPC69623

COCONUT: CNP0188380

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 349.56800000000004

TPSA？: 21.700000000000003

MolLogP？: 4.290800000000004

Number of H-Donors: 0

Number of H-Acceptors: 7

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Cricetulus griseus	V79	IC50	190.0	nM	10.1021/acs.jnatprod.7b00575
Escherichia coli	Escherichia coli	IZ	10.3	mm	10.1021/acs.jnatprod.7b00575
Escherichia coli	Escherichia coli	IZ	14.4	mm	10.1021/np060593c
Escherichia coli	Escherichia coli	IZ	17.8	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	10.3	mm	10.1021/acs.jnatprod.7b00575
Mucor hiemalis	Mucor hiemalis	IZ	17.4	mm	10.1021/np060593c
Mucor hiemalis	Mucor hiemalis	IZ	23.0	mm	10.1021/np060593c
Ruegeria atlantica	Ruegeria atlantica	IZ	10.3	mm	10.1021/acs.jnatprod.7b00575
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	10.3	mm	10.1021/acs.jnatprod.7b00575
Saccharomyces cerevisiae	Saccharomyces cerevisiae	IZ	11.8	mm	10.1021/np060593c
Staphylococcus aureus	Staphylococcus aureus	IZ	10.3	mm	10.1021/acs.jnatprod.7b00575
Staphylococcus aureus	Staphylococcus aureus	IZ	10.3	mm	10.1021/np060593c
None	NON-PROTEIN TARGET	EC50	190.0	nM	10.1021/np060593c
None	Unchecked	IC50	25.0	ug.mL-1	10.1021/acs.jnatprod.7b00575