Molecule

Thaxtomin C

AlkaPlorer ID: AK325977

Synonym: None

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

Structure

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

InChI: InChI=1S/C21H20N4O4/c1-24-18(11-14-12-22-15-8-5-9-17(19(14)15)25(28)29)20(26)23-16(21(24)27)10-13-6-3-2-4-7-13/h2-9,12,16,18,22H,10-11H2,1H3,(H,23,26)/t16-,18-/m0/s1

InChIKey: IAIWBAHUWORDTI-WMZOPIPTSA-N

Reference

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

PubChem CID: 11101250

LOTUS: LTS0030973

{

NPAtlas: NPA011131

Source

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

Properties Information

Molecule Weight: 392.4150000000001

TPSA？: 111.83

MolLogP？: 3.027000000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Abutilon theophrasti	Abutilon theophrasti	Activity	0.0	%	10.1021/jf0012998
Abutilon theophrasti	Abutilon theophrasti	Activity	50.0	%	10.1021/jf0012998
Agrostis stolonifera var. palustris	Agrostis stolonifera var. palustris	Activity	nan	None	10.1021/jf0012998
Agrostis stolonifera var. palustris	Agrostis stolonifera var. palustris	I50	40.0	ppb	10.1021/jf0012998
Arabidopsis thaliana	Arabidopsis thaliana	GI	nan	None	10.1021/jf0012998
Arabidopsis thaliana	Arabidopsis thaliana	I50	50.0	ppb	10.1021/jf0012998
Avena fatua	Avena fatua	Activity	0.0	%	10.1021/jf0012998
Echinochloa crus-galli	Echinochloa crus-galli	Activity	0.0	%	10.1021/jf0012998
Echinochloa crus-galli	Echinochloa crus-galli	Activity	20.0	%	10.1021/jf0012998
Echinochloa crus-galli	Echinochloa crus-galli	Activity	40.0	%	10.1021/jf0012998
Helianthus annuus	Helianthus annuus	Activity	0.0	%	10.1021/jf0012998
Helianthus annuus	Helianthus annuus	Activity	30.0	%	10.1021/jf0012998
Helianthus annuus	Helianthus annuus	Activity	70.0	%	10.1021/jf0012998
Helianthus annuus	Helianthus annuus	Activity	75.0	%	10.1021/jf0012998
Ipomoea hederacea	Ipomoea hederacea	Activity	70.0	%	10.1021/jf0012998
Ipomoea hederacea	Ipomoea hederacea	Activity	80.0	%	10.1021/jf0012998
Ipomoea hederacea	Ipomoea hederacea	Activity	nan	None	10.1021/jf0012998
Ipomoea hederacea	Ipomoea hederacea	GR50	125.0	g/ha	10.1021/jf0012998