12-N-methyl-14-hydroxycyclo-(L-4-nitrotryptophyl-L-phenylalanyl)
AlkaPlorer ID: AK326311
Synonym: None
IUPAC Name: (3R,6S)-3-benzyl-3-hydroxy-1-methyl-6-[(4-nitro-1H-indol-3-yl)methyl]piperazine-2,5-dione
Structure
SMILES: CN1C(=O)[C@](O)(CC2=CC=CC=C2)NC(=O)[C@@H]1CC1=CNC2=CC=CC([N+](=O)[O-])=C12
InChI: InChI=1S/C21H20N4O5/c1-24-17(10-14-12-22-15-8-5-9-16(18(14)15)25(29)30)19(26)23-21(28,20(24)27)11-13-6-3-2-4-7-13/h2-9,12,17,22,28H,10-11H2,1H3,(H,23,26)/t17-,21+/m0/s1
InChIKey: CRDXCBHAFGPWRN-LAUBAEHRSA-N
Reference
Isolation and Characterization of Thaxtomin-Type Phytotoxins Associated with Streptomyces ipomoeae
PubChem CID: 76312457
{NPAtlas: NPA018949
Source
Properties Information
Molecule Weight: 408.41400000000016
TPSA？: 128.57000000000002
MolLogP？: 1.5066999999999988
Number of H-Donors: 3
Number of H-Acceptors: 5
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 | 20.0 | % | 10.1021/jf0012998 |
| Abutilon theophrasti | Abutilon theophrasti | Activity | 70.0 | % | 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 | 40.0 | ppb | 10.1021/jf0012998 |
| Helianthus annuus | Helianthus annuus | Activity | 0.0 | % | 10.1021/jf0012998 |
| Helianthus annuus | Helianthus annuus | Activity | 20.0 | % | 10.1021/jf0012998 |
| Helianthus annuus | Helianthus annuus | Activity | 80.0 | % | 10.1021/jf0012998 |
| Helianthus annuus | Helianthus annuus | Activity | 95.0 | % | 10.1021/jf0012998 |
| Helianthus annuus | Helianthus annuus | Activity | 100.0 | % | 10.1021/jf0012998 |
| Ipomoea hederacea | Ipomoea hederacea | Activity | nan | None | 10.1021/jf0012998 |