18-O-demethylpederin
AlkaPlorer ID: AK108848
Synonym: None
IUPAC Name: (2S)-2-hydroxy-N-[(S)-[(2S,4R,6R)-4-hydroxy-6-[(2S)-3-hydroxy-2-methoxypropyl]-5,5-dimethyloxan-2-yl]-methoxymethyl]-2-[(2R,5R,6R)-2-methoxy-5,6-dimethyl-4-methylideneoxan-2-yl]acetamide
Structure
SMILES: C=C1C[C@](OC)([C@H](O)C(O)=N[C@@H](OC)[C@@H]2C[C@@H](O)C(C)(C)[C@@H](C[C@@H](CO)OC)O2)O[C@H](C)[C@@H]1C
InChI: InChI=1S/C24H43NO9/c1-13-11-24(32-8,34-15(3)14(13)2)20(28)21(29)25-22(31-7)17-10-18(27)23(4,5)19(33-17)9-16(12-26)30-6/h14-20,22,26-28H,1,9-12H2,2-8H3,(H,25,29)/t14-,15-,16+,17+,18-,19-,20-,22+,24-/m1/s1
InChIKey: RYMNJJUXEZDWPS-FQZCGRDXSA-N
Reference
Bacterial Production of a Pederin Analogue by a Free-Living Marine Alphaproteobacterium
PubChem CID: 138319300
LOTUS: LTS0275839
NPASS: NPC487158
{NPAtlas: NPA022395
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Labrenzia sp. PHM005 | Labrenzia | Stappiaceae | Hyphomicrobiales | Alphaproteobacteria | Pseudomonadota | None | Bacteria |
Properties Information
Molecule Weight: 489.6060000000003
TPSA？: 139.43
MolLogP？: 1.5621000000000005
Number of H-Donors: 4
Number of H-Acceptors: 9
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | GI50 | 2.0 | nM | 10.1021/acs.jnatprod.7b00408 |
| Homo sapiens | HT-29 | GI50 | 2.0 | nM | 10.1021/acs.jnatprod.7b00408 |
| Homo sapiens | MDA-MB-231 | GI50 | 2.0 | nM | 10.1021/acs.jnatprod.7b00408 |
| Homo sapiens | PSN1 | GI50 | 2.0 | nM | 10.1021/acs.jnatprod.7b00408 |