Molecule

UNII-745M0KNN2Y

AlkaPlorer ID: AK028234

Synonym: 'UNII-745M0KNN2Y'

IUPAC Name: [(2R,3S,6S,7R,8R)-3-[(3-formamido-2-hydroxybenzoyl)amino]-8-hexyl-2,6-dimethyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate

Structure

SMILES: CCCCCC[C@H]1C(=O)O[C@H](C)[C@H](NC(=O)C2=CC=CC(NC=O)=C2O)C(=O)O[C@@H](C)[C@@H]1OC(=O)C(C)C

InChI: InChI=1S/C27H38N2O9/c1-6-7-8-9-11-19-23(38-25(33)15(2)3)17(5)37-27(35)21(16(4)36-26(19)34)29-24(32)18-12-10-13-20(22(18)31)28-14-30/h10,12-17,19,21,23,31H,6-9,11H2,1-5H3,(H,28,30)(H,29,32)/t16-,17+,19-,21+,23+/m1/s1

InChIKey: KHLDVDGEVBRYTL-JABWOZRQSA-N

Reference

Rare <i>Streptomyces N</i>-Formyl Amino-salicylamides Inhibit Oncogenic K-Ras

PubChem CID: 447434

CAS: 28068-15-7

LOTUS: LTS0131448

NPASS: NPC254100

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Narcissus pseudonarcissus	Narcissus	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptomyces antibioticus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Artemisia iwayomogi	Artemisia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Myxococcus xanthus	Myxococcus	Myxococcaceae	Myxococcales	Myxococcia	Myxococcota	None	Bacteria
Lithospermum carolinense	Lithospermum	Boraginaceae	Boraginales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Drimia altissima	Drimia	Hyacinthaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Taxus wallichiana	Taxus	Taxaceae	Cupressales	Pinopsida	Streptophyta	Viridiplantae	Eukaryota
Evasterias retifera	Evasterias	Asteriidae	Forcipulatida	Asteroidea	Echinodermata	Metazoa	Eukaryota
Sideritis glacialis	Sideritis	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Aconitum umbrosum	Aconitum	Ranunculaceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Helenium amarum	Helenium	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Scutellaria viscidula	Scutellaria	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Uperoleia rugosa	Uperoleia	Myobatrachidae	Anura	Amphibia	Chordata	Metazoa	Eukaryota
Bolboschoenus maritimus	Bolboschoenus	Cyperaceae	Poales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Ligularia lankongensis	Ligularia	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Allium ampeloprasum	Allium	Amaryllidaceae	Asparagales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Maytenus disticha	Maytenus	Celastraceae	Celastrales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Conyza pallidiflora	Conyza	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Senecio retrorsus	Senecio	Asteraceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Lonicera nitida	Lonicera	Caprifoliaceae	Dipsacales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 534.6060000000002

TPSA？: 157.32999999999998

MolLogP？: 3.090300000000001

Number of H-Donors: 3

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Rattus norvegicus	ATP-citrate synthase	Ki	4000.0	nM	10.1016/j.ejmech.2018.09.001