Molecule

(2R,3R,4R,5R)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol

AlkaPlorer ID: AK071101

Synonym: None

IUPAC Name: (2R,3R,4R,5R)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol

SMILES: COC1=CC=C([C@@H]2[C@@H](O)[C@H](O)[C@@H](C)N2C)C=C1

InChI: InChI=1S/C13H19NO3/c1-8-12(15)13(16)11(14(8)2)9-4-6-10(17-3)7-5-9/h4-8,11-13,15-16H,1-3H3/t8-,11-,12-,13-/m1/s1

InChIKey: GJZNAEFHIYPPEM-HUXSOILUSA-N

PubChem CID: 10889945

LOTUS: LTS0071743

SuperNatural Ⅲ: SN0107752-02

NPASS: NPC102206

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Callicarpa macrophylla	Callicarpa	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Curcuma heyneana	Curcuma	Zingiberaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Potamophylax latipennis	Potamophylax	Limnephilidae	Trichoptera	Insecta	Arthropoda	Metazoa	Eukaryota
Costus afer	Costus	Costaceae	Zingiberales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chaiturus marrubiastrum	Chaiturus	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Withania adpressa	Withania	Solanaceae	Solanales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Codonopsis clematidea	Codonopsis	Campanulaceae	Asterales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Leucas cephalotes	Leucas	Lamiaceae	Lamiales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 237.299

TPSA？: 52.93

MolLogP？: 0.7920000000000001

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Acinetobacter baumannii	Acinetobacter baumannii	MIC	256.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Acinetobacter baumannii	Acinetobacter baumannii	MIC	1024.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Candida albicans	Candida albicans	Activity	nan	None	10.1016/j.bmc.2019.02.021
Candida albicans	Candida albicans	MIC	1024.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Escherichia coli	Escherichia coli	MIC	64.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Escherichia coli	Escherichia coli	MIC	128.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Klebsiella pneumoniae	Klebsiella pneumoniae	MIC	1024.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Proteus mirabilis	Proteus mirabilis	MIC	64.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Proteus mirabilis	Proteus mirabilis	MIC	128.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Pseudomonas aeruginosa	Pseudomonas aeruginosa	MIC	1024.0	ug.mL-1	10.1016/j.bmc.2019.02.021
Staphylococcus aureus	Staphylococcus aureus	IZ	32.0	mm	10.1016/j.bmc.2019.02.021
Staphylococcus aureus	Staphylococcus aureus	MIC	0.5	ug.mL-1	10.1016/j.bmc.2019.02.021
None	No relevant target	Activity	93.3	%	10.1016/j.bmc.2019.02.021
None	No relevant target	Activity	95.2	%	10.1016/j.bmc.2019.02.021
None	No relevant target	permeability	60.7	%	10.1016/j.bmc.2019.02.021
None	No relevant target	permeability	100.0	%	10.1016/j.bmc.2019.02.021