Molecule

Saccharothriolide E

AlkaPlorer ID: AK068780

Synonym: None

IUPAC Name: (3S,4R,5S,7R,8R,9R,10S)-10-(3,5-dihydroxyphenyl)-4-hydroxy-8-(2-hydroxyanilino)-3,5,7,9-tetramethyloxecane-2,6-dione

Structure

SMILES: C[C@@H]1[C@@H](NC2=CC=CC=C2O)[C@@H](C)C(=O)[C@@H](C)[C@@H](O)[C@H](C)C(=O)O[C@@H]1C1=CC(O)=CC(O)=C1

InChI: InChI=1S/C25H31NO7/c1-12-21(26-19-7-5-6-8-20(19)29)13(2)24(16-9-17(27)11-18(28)10-16)33-25(32)15(4)23(31)14(3)22(12)30/h5-15,21,23-24,26-29,31H,1-4H3/t12-,13-,14-,15+,21+,23-,24+/m1/s1

InChIKey: PUFJWNRDGMBDGV-IELUSNEISA-N

Reference

Isolation and Structure Elucidation of Cytotoxic Saccharothriolides D to F from a Rare Actinomycete <i>Saccharothrix</i> sp. and Their Structure–Activity Relationship

PubChem CID: 132525356

LOTUS: LTS0137037

NPASS: NPC489025

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NPAtlas: NPA021982

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Saccharothrix sp.	Saccharothrix	Pseudonocardiaceae	Pseudonocardiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 457.5230000000002

TPSA？: 136.32

MolLogP？: 3.3564000000000016

Number of H-Donors: 5

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
None	NON-PROTEIN TARGET	IC50	29200.0	nM	10.1021/acs.jnatprod.6b00372