Nocardichelin A
AlkaPlorer ID: AK036809
Synonym: None
IUPAC Name: N-[5-[[(Z)-hexadec-2-enoyl]-hydroxyamino]pentyl]-N'-hydroxy-N'-[5-[[(4S)-2-(2-hydroxyphenyl)-4,5-dihydro-1,3-oxazole-4-carbonyl]amino]pentyl]butanediamide
Structure
SMILES: CCCCCCCCCCCCC/C=C\C(=O)N(O)CCCCCNC(=O)CCC(=O)N(O)CCCCCNC(=O)[C@@H]1COC(C2=CC=CC=C2O)=N1
InChI: InChI=1S/C40H65N5O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25-37(48)44(51)30-21-14-19-28-41-36(47)26-27-38(49)45(52)31-22-15-20-29-42-39(50)34-32-53-40(43-34)33-23-17-18-24-35(33)46/h16-18,23-25,34,46,51-52H,2-15,19-22,26-32H2,1H3,(H,41,47)(H,42,50)/b25-16-/t34-/m0/s1
InChIKey: DRENPLQXPKBWFG-SKYHRFGRSA-N
Reference
Nocardichelins A and B, Siderophores from <i>Nocardia</i> Strain Acta 3026
PubChem CID: 135611073
LOTUS: LTS0046330
SuperNatural Ⅲ: SN0073264-02
NPASS: NPC123011
{NPAtlas: NPA014507
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Nocardia sp. | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
| None | Nocardia | Nocardiaceae | Mycobacteriales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 743.9870000000002
TPSA？: 181.1
MolLogP？: 6.583700000000007
Number of H-Donors: 5
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | AGS | GI50 | 28.2 | nM | 10.1021/np060612i |
| Homo sapiens | AGS | TGI | 201.7 | nM | 10.1021/np060612i |
| Homo sapiens | HepG2 | GI50 | 282.4 | nM | 10.1021/np060612i |
| Homo sapiens | HepG2 | TGI | 470.7 | nM | 10.1021/np060612i |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | Activity | nan | None | 10.1021/np060612i |
| None | NON-PROTEIN TARGET | GI50 | 201.7 | nM | 10.1021/np060612i |
| None | NON-PROTEIN TARGET | TGI | 538.0 | nM | 10.1021/np060612i |