Molecule

Penicimutatin

AlkaPlorer ID: AK086110

Synonym: None

IUPAC Name: (3S,6S)-3-benzyl-6-[[1-(3-methylbut-2-enyl)indol-3-yl]methyl]piperazine-2,5-dione

Structure

SMILES: CC(C)=CCN1C=C(C[C@@H]2N=C(O)[C@H](CC3=CC=CC=C3)N=C2O)C2=CC=CC=C21

InChI: InChI=1S/C25H27N3O2/c1-17(2)12-13-28-16-19(20-10-6-7-11-23(20)28)15-22-25(30)26-21(24(29)27-22)14-18-8-4-3-5-9-18/h3-12,16,21-22H,13-15H2,1-2H3,(H,26,30)(H,27,29)/t21-,22-/m0/s1

InChIKey: NYJNVRXNQRYYHW-VXKWHMMOSA-N

Reference

A Practical Strategy to Discover New Antitumor Compounds by Activating Silent Metabolite Production in Fungi by Diethyl Sulphate Mutagenesis

PubChem CID: 139587760

LOTUS: LTS0026341

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NPAtlas: NPA016743

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	None	None	None	None	None	Fungi	Eukaryota
None	None	None	None	None	None	Fungi	Eukaryota

Properties Information

Molecule Weight: 401.5100000000001

TPSA？: 70.11

MolLogP？: 5.056500000000004

Number of H-Donors: 2

Number of H-Acceptors: 3

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi