LOTUS: Natural Products Online

Q484583

Name	Proline
Wikidata	Q484583
Mol. formula	C5H9NO2
CAS registry number	-
Mol. weight	115.1307

Representations

Temporary LOTUS id	LTS0112491
Name	Proline
Canonical SMILES	O=C(O)C1CCCN1
2D SMILES	O=C(O)C1CCCN1
IUPAC name	pyrrolidine-2-carboxylic acid
InChI	InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey	ONIBWKKTOPOVIA-UHFFFAOYSA-N
Deep SMILES	could not be computed
Murcko Framework	N1CCCC1

Organism taxonomy

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Fungi	Ascomycota	Clavicipitaceae	Claviceps	Claviceps purpurea

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Fungi	Ascomycota	Clavicipitaceae	Claviceps	Claviceps purpurea

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Fungi	Ascomycota	Clavicipitaceae	Claviceps	Claviceps purpurea

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Fungi	Ascomycota	Clavicipitaceae	Claviceps	Claviceps purpurea

Kingdom	Phylum	Family	Species	Link to taxonomy
Fungi	Ascomycota	Clavicipitaceae	Claviceps purpurea

Ref:

Domain	Phylum	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Bacillariophyta	Pseudo-nitzschia	Pseudo-nitzschia multistriata

Superkingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Bacillariophyta	Bacillariaceae	Pseudo-nitzschia	Pseudo-nitzschia multistriata

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Chromista	Ochrophyta	Bacillariaceae	Pseudo-nitzschia	Pseudo-nitzschia multistriata

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Euphorbia	Euphorbia tithymaloides

Kingdom	Family	Genus	Species
Plantae	Euphorbiaceae	Euphorbia	Euphorbia tithymaloides

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Euphorbiaceae	Euphorbia	Euphorbia tithymaloides

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Euphorbiaceae	Euphorbia	Euphorbia tithymaloides

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Euphorbiaceae	Euphorbia	Euphorbia tithymaloides

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Fungi	Ascomycota	Schizosaccharomycetaceae	Schizosaccharomyces	Schizosaccharomyces pombe

Kingdom	Phylum	Family	Species	Link to taxonomy
Fungi	Ascomycota	Schizosaccharomycetaceae	Schizosaccharomyces pombe

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Medicago	Medicago sativa

Kingdom	Family	Genus	Species
Plantae	Fabaceae	Medicago	Medicago sativa

Family	Genus	Species
Fabaceae	Medicago	Medicago sativa

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Fabaceae	Medicago	Medicago sativa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Medicago	Medicago sativa

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Medicago	Medicago sativa

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Vicia	Vicia sativa
Plantae	Tracheophyta	Fabaceae	Lupinus	Lupinus albus

Kingdom	Family	Genus	Species
Plantae	Fabaceae	Vicia	Vicia sativa
Plantae	Fabaceae	Lupinus	Lupinus albus

Family	Genus	Species
Fabaceae	Vicia	Vicia sativa

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Lupinus	Lupinus albus
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Vicia	Vicia sativa

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Fabaceae	Lupinus	Lupinus albus
Eukaryota	Viridiplantae	Streptophyta	Fabaceae	Vicia	Vicia sativa

Kingdom	Phylum	Family	Genus	Species
Plantae	Tracheophyta	Fabaceae	Lupinus	Lupinus albus
Plantae	Tracheophyta	Fabaceae	Vicia	Vicia sativa
Plantae	Tracheophyta	Fabaceae	Vicia	Vicia sativa

Ref:

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Melanthiaceae	Paris	Paris fargesii
Eukaryota	Viridiplantae	Streptophyta	Melanthiaceae	Paris	Paris polyphylla

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Melanthiaceae	Paris	Paris polyphylla
Eukaryota	Archaeplastida	Streptophyta	Melanthiaceae	Paris	Paris fargesii

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Melanthiaceae	Paris	Paris polyphylla
Plantae	Tracheophyta	Melanthiaceae	Paris	Paris fargesii

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Salicaceae	Populus	Populus tremula

Kingdom	Family	Genus	Species
Plantae	Salicaceae	Populus	Populus tremula

Family	Genus	Species
Salicaceae	Populus	Populus tremula

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Salicaceae	Populus	Populus tremula

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Salicaceae	Populus	Populus tremula

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Salicaceae	Populus	Populus tremula

Ref:

Kingdom	Phylum	Family	Genus	Species
Bacteria	Proteobacteria	Enterobacteriaceae	Escherichia	Escherichia coli

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Family	Genus	Species
Plantae	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Family	Genus	Species
Brassicaceae	Arabidopsis	Arabidopsis thaliana

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Plantae	Tracheophyta	Fabaceae	Glycine	Glycine max

Kingdom	Family	Genus	Species
Plantae	Fabaceae	Glycine	Glycine max

Family	Genus	Species
Fabaceae	Glycine	Glycine max

Superkingdom	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Eukaryota	Viridiplantae	Streptophyta	Fabaceae	Glycine	Glycine max

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Glycine	Glycine max

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Dalbergia	Dalbergia melanoxylon

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Arthropoda	Daphniidae	Daphnia	Daphnia magna

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Caryophyllaceae	Stellaria	Stellaria media

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Colchicaceae	Colchicum	Colchicum trigynum

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Chordata	Centropomidae	Lates	Lates calcarifer

Ref:

Domain	Phylum	Genus	Species	Link to taxonomy	Link to Wikidata
Bacteria	Cyanobacteria	Synechococcus	Synechococcus elongatus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Metazoa	Nematoda	Rhabditidae	Caenorhabditis	Caenorhabditis elegans

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Plantaginaceae	Antirrhinum	Antirrhinum majus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Fabaceae	Astragalus	Astragalus falcatus

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Arabidopsis	Arabidopsis thaliana

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Araliaceae	Panax	Panax ginseng

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Asteraceae	Achillea	Achillea collina

Ref:

Kingdom	Phylum	Family	Genus	Species	Link to taxonomy
Fungi	Ascomycota	Saccharomycetaceae	Saccharomyces	Saccharomyces cerevisiae

Ref:

Domain	Kingdom	Phylum	Family	Genus	Species	Link to taxonomy	Link to Wikidata
Eukaryota	Archaeplastida	Streptophyta	Brassicaceae	Lunaria	Lunaria annua

Ref:

Chemical ontology

Pathway	Superclass	Class
Amino acids and Peptides	Small peptides	Aminoacids

Molecular Properties

Total atom number	17
Heavy atom number	8
Bond count	8
Number of carbons	5
Minimal number of rings	1
Maximal number of rings	1

Molecular Descriptors

NP-likeness score	1.75
Alogp	-0.06
Alogp2	0
Apol	17.5051
Bpol	11.4569
EccentricConnectivityIndexDescriptor	51
FmfDescriptor	0.625
Fsp3	0.8
FragmentComplexityDescriptor	233.03
PetitjeanNumber	0.5
LipinskiRuleOf5Failures	0
WienerPathNumber	62
Xlogp	-0.185
ZagrebIndex	36
TopoPSA	49.33

Kingdom	Superclass	Class	Direct Parent
Organic compounds	Organic acids and derivatives	Carboxylic acids and derivatives	Proline and derivatives