Molecule

Not named

AlkaPlorer ID: AK036189

Synonym: '', 'cis-Bis(methylthio)silvatin'

IUPAC Name: (3R,6R)-1,4-dimethyl-3-[[4-(3-methylbut-2-enoxy)phenyl]methyl]-3,6-bis(methylsulfanyl)piperazine-2,5-dione

Structure

SMILES: CS[C@@H]1C(=O)N(C)[C@](CC2=CC=C(OCC=C(C)C)C=C2)(SC)C(=O)N1C

InChI: InChI=1S/C20H28N2O3S2/c1-14(2)11-12-25-16-9-7-15(8-10-16)13-20(27-6)19(24)21(3)18(26-5)17(23)22(20)4/h7-11,18H,12-13H2,1-6H3/t18-,20-/m1/s1

InChIKey: XBKBUMFBHNQOLC-UYAOXDASSA-N

Reference

New hirsutane based sesquiterpenes from salt water cultures of a marine sponge-derived fungus and the terrestrial fungus Coriolus consors

PubChem CID: 11069575

LOTUS: LTS0109481

SuperNatural Ⅲ: SN0425612-04

NPASS: NPC189908

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota
Tetradium ruticarpum	Tetradium	Rutaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Tectaria subtriphylla	Tectaria	Tectariaceae	Polypodiales	Polypodiopsida	Streptophyta	Viridiplantae	Eukaryota
Acca sellowiana	Acca	Myrtaceae	Myrtales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Athrixia angustissima	Athrixia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Penicillium	Aspergillaceae	Eurotiales	Eurotiomycetes	Ascomycota	Fungi	Eukaryota

Properties Information

Molecule Weight: 408.5890000000001

TPSA？: 49.85

MolLogP？: 3.252900000000002

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	NON-PROTEIN TARGET	LD99	0.15	uM	10.1021/np0702483