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Cyclomethyltryptophan

AlkaPlorer ID: AK012408

Synonym: None

IUPAC Name: (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid

Structure

SMILES: O=C(O)[C@@H]1CC2=C(CN1)NC1=CC=CC=C21

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InChI: InChI=1S/C12H12N2O2/c15-12(16)10-5-8-7-3-1-2-4-9(7)14-11(8)6-13-10/h1-4,10,13-14H,5-6H2,(H,15,16)/t10-/m0/s1

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InChIKey: FSNCEEGOMTYXKY-JTQLQIEISA-N

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Reference

Chemical Constituents of Taraxacum formosanum

PubChem CID: 6920044

CAS: 42438-90-4

LOTUS: LTS0245584

NPASS: NPC217372

data_source: manually

Source

Species Genus Family Order Class Phylum Kingdom Domain
Centaurea maculosa Centaurea Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Asimina parviflora Asimina Annonaceae Magnoliales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Rhinella marina Rhinella Bufonidae Anura Amphibia Chordata Metazoa Eukaryota
Simarouba glauca Simarouba Simaroubaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Epilobium hirsutum Epilobium Onagraceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Theonella conica Theonella Theonellidae Tetractinellida Demospongiae Porifera Metazoa Eukaryota
Gymnocalycium schickendantzii Gymnocalycium Cactaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Shigella dysenteriae Shigella Enterobacteriaceae Enterobacterales Gammaproteobacteria Pseudomonadota None Bacteria
Solanum lycopersicum Solanum Solanaceae Solanales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Atraphaxis spinosa Atraphaxis Polygonaceae Caryophyllales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Allium chinense Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Allium macrostemon Allium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Ephedra sinica Ephedra Ephedraceae Ephedrales Gnetopsida Streptophyta Viridiplantae Eukaryota
Pteridium esculentum Pteridium Dennstaedtiaceae Polypodiales Polypodiopsida Streptophyta Viridiplantae Eukaryota
Tricholoma columbetta Tricholoma Tricholomataceae Agaricales Agaricomycetes Basidiomycota Fungi Eukaryota
Helichrysum tenuifolium Helichrysum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Cirsium setosum Cirsium Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Myxococcus stipitatus Myxococcus Myxococcaceae Myxococcales Myxococcia Myxococcota None Bacteria
Siphonaria capensis Siphonaria Siphonariidae Siphonariida Gastropoda Mollusca Metazoa Eukaryota
Clerodendrum bungei Clerodendrum Lamiaceae Lamiales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Esenbeckia leiocarpa Esenbeckia Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Embelia parviflora Embelia Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lythrum salicaria Lythrum Lythraceae Myrtales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Chondrodendron tomentosum Chondrodendron Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Plathymenia reticulata Plathymenia Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Monsonia senegalensis Monsonia Geraniaceae Geraniales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Haplophyllum obtusifolium Haplophyllum Rutaceae Sapindales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Abelia chinensis Abelia Caprifoliaceae Dipsacales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Pancratium sickenbergeri Pancratium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Piper regnellii Piper Piperaceae Piperales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Erysimum leptophyllum Erysimum Brassicaceae Brassicales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Baccharis neglecta Baccharis Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Onopordum acanthium Onopordum Asteraceae Asterales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Conus mus Conus Conidae Neogastropoda Gastropoda Mollusca Metazoa Eukaryota
Sophora flavescens Sophora Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Morella rubra Morella Myricaceae Fagales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lycogala epidendrum Lycogala Enteridiidae Liceales Eumycetozoa Evosea None Eukaryota
Erythrina melanacantha Erythrina Fabaceae Fabales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Embelia schimperi Embelia Primulaceae Ericales Magnoliopsida Streptophyta Viridiplantae Eukaryota
Lycogala epidendrum Lycogala Enteridiidae Liceales Eumycetozoa Evosea None Eukaryota

Properties Information

Molecule Weight: 216.24000000000004

TPSA？: 65.12

MolLogP？: 1.2667999999999997

Number of H-Donors: 3

Number of H-Acceptors: 2

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Homo sapiens Cytochrome P450 19A1 Inhibition 20.7 % 10.1016/j.bmc.2011.09.020
Homo sapiens SACC-LM Activity 45.6 % 10.1016/s0960-894x(01)00809-5
Mus musculus NAD(P)H dehydrogenase [quinone] 1 Ratio 1.1 None 10.1016/j.bmc.2011.09.020
Mus musculus NAD(P)H dehydrogenase [quinone] 1 Survival 99.2 % 10.1016/j.bmc.2011.09.020
Mus musculus Nitric oxide synthase, inducible Inhibition 2.0 % 10.1016/j.bmc.2011.09.020
Mus musculus Nitric oxide synthase, inducible Survival 100.1 % 10.1016/j.bmc.2011.09.020
Oryctolagus cuniculus Oryctolagus cuniculus Am 24.6 % 10.1016/s0960-894x(01)00809-5
Oryctolagus cuniculus Oryctolagus cuniculus Am 35.66 % 10.1016/s0960-894x(01)00809-5
Oryctolagus cuniculus Oryctolagus cuniculus Am 45.16 % 10.1016/s0960-894x(01)00809-5
Oryctolagus cuniculus Oryctolagus cuniculus Am 50.18 % 10.1016/s0960-894x(01)00809-5
Oryctolagus cuniculus Oryctolagus cuniculus Am 53.66 % 10.1016/s0960-894x(01)00809-5
Oryctolagus cuniculus Oryctolagus cuniculus Am 55.15 % 10.1016/s0960-894x(01)00809-5
Rattus norvegicus Rattus norvegicus Activity 18.79 mg 10.1021/jm901816j
Rattus norvegicus Rattus norvegicus Thrombus weight 7.17 mg 10.1016/s0960-894x(01)00809-5
Rattus norvegicus Rattus norvegicus Thrombus weight 42.99 mg 10.1016/s0960-894x(01)00809-5
None NON-PROTEIN TARGET IC50 701.01 nM 10.1021/jm901816j
None NON-PROTEIN TARGET IC50 752.28 nM 10.1021/jm901816j
None NON-PROTEIN TARGET IC50 866.14 nM 10.1021/jm901816j
None NON-PROTEIN TARGET IC50 981.52 nM 10.1021/jm901816j
None No relevant target Ratio 1.68 None 10.1016/j.bmc.2014.08.035
None Platelet IC50 3175.81 nM 10.1016/j.bmc.2008.09.019
None Platelet IC50 3289.1 nM 10.1016/j.bmc.2008.09.019
None Platelet IC50 3320.42 nM 10.1016/j.bmc.2008.09.019
None Platelet IC50 3429.33 nM 10.1016/j.bmc.2008.09.019
None Unchecked Inhibition 4.6 % 10.1016/j.bmc.2011.09.020
None Unchecked Survival 103.0 % 10.1016/j.bmc.2011.09.020

Metabolism Information