(3R,6R)-3-[(4-{[(2E)-4-hydroxy-3-methylbut-2-en-1-yl]oxy}phenyl)methyl]-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
AlkaPlorer ID: AK058512
Synonym: None
IUPAC Name: (3R,6R)-3-[[4-[(E)-4-hydroxy-3-methylbut-2-enoxy]phenyl]methyl]-1,4-dimethyl-3,6-bis(methylsulfanyl)piperazine-2,5-dione
Structure
SMILES: CS[C@@H]1C(=O)N(C)[C@](CC2=CC=C(OC/C=C(\C)CO)C=C2)(SC)C(=O)N1C
InChI: InChI=1S/C20H28N2O4S2/c1-14(13-23)10-11-26-16-8-6-15(7-9-16)12-20(28-5)19(25)21(2)18(27-4)17(24)22(20)3/h6-10,18,23H,11-13H2,1-5H3/b14-10+/t18-,20-/m1/s1
InChIKey: LAPJSFKZTWJPRA-LQFRORHJSA-N
Reference
New co-metabolites of gliotoxin in Gliocladium virens
PubChem CID: 13989143
LOTUS: LTS0103579
SuperNatural Ⅲ: SN0200428-02
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Trichoderma virens | Trichoderma | Hypocreaceae | Hypocreales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 424.58800000000014
TPSA？: 70.08
MolLogP？: 2.2253
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|