Molecule

Thaxtomin B

AlkaPlorer ID: AK326003

Synonym: None

IUPAC Name: (3R,6S)-3-benzyl-3-hydroxy-1,4-dimethyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione

Structure

SMILES: CN1C(=O)[C@](O)(CC2=CC=CC=C2)N(C)C(=O)[C@@H]1CC1=CNC2=CC=CC([N+](=O)[O-])=C12

InChI: InChI=1S/C22H22N4O5/c1-24-18(11-15-13-23-16-9-6-10-17(19(15)16)26(30)31)20(27)25(2)22(29,21(24)28)12-14-7-4-3-5-8-14/h3-10,13,18,23,29H,11-12H2,1-2H3/t18-,22+/m0/s1

InChIKey: PCCPGPMTZJOQFC-PGRDOPGGSA-N

Reference

High-Yield Production of Herbicidal Thaxtomins and Thaxtomin Analogs in a Nonpathogenic Streptomyces Strain

PubChem CID: 180099

CAS: 122380-19-2

LOTUS: LTS0118507

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NPAtlas: NPA011698

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
None	Scabies	Unionidae	Unionida	Bivalvia	Mollusca	Metazoa	Eukaryota

Properties Information

Molecule Weight: 422.4410000000002

TPSA？: 119.78000000000004

MolLogP？: 1.8488999999999989

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Agrostis stolonifera var. palustris	Agrostis stolonifera var. palustris	Activity	nan	None	10.1021/jf0012998
Arabidopsis thaliana	Arabidopsis thaliana	GI	nan	None	10.1021/jf0012998
Arabidopsis thaliana	Arabidopsis thaliana	I50	28.0	ppb	10.1021/jf0012998