butylphthalide (Q5003180)

Butylphthalide (English)

14 October 2016

chemical formula

C₁₂H₁₄O₂

1 reference

Butylphthalide (English)

20 November 2016

canonical SMILES

CCCCC1C2=CC=CC=C2C(=O)O1

1 reference

Butylphthalide (English)

20 November 2016

found in taxon

Ligusticum chuanxiong

7 references

Separation and Purification of Z Ligustilide and Senkyunolide A fromLigusticum chuanxiongHort. with Supercritical Fluid Extraction and High‐Speed Counter‐Current Chromatography

Comparative study of roots ofAngelica sinensis and related umbelliferous drugs by thin layer chromatography, high-performance liquid chromatography, and liquid chromatography - mass spectrometry

HPLC-coupled spectroscopic techniques (UV, MS, NMR) for the structure elucidation of phthalides in Ligusticum chuanxiong

Two phthalides from Ligusticum chuangxiong

Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry

Analysis of volatile oils of Ligusticum chuanxiong Hort. from different geographical origins by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry

Simultaneous qualitative and quantitative analyses of the major constituents in the rhizome of Ligusticum Chuanxiong using HPLC-DAD-MS.

Angelica sinensis

3 references

Comparative study of roots ofAngelica sinensis and related umbelliferous drugs by thin layer chromatography, high-performance liquid chromatography, and liquid chromatography - mass spectrometry

Liquid chromatographic–electrospray mass spectrometric study of the phthalides of Angelica sinensis and chemical changes of Z-ligustilide

Analysis and processing of Chinese herbal drugs; VI. The study of Angelicae radix

Apium graveolens

11 references

Volatile aroma constituents of celery

Chemoprevention of benzo[a]pyrene-induced forestomach cancer in mice by natural phthalides from celery seed oil

GC/MS and GC/FTIR Analysis of the Essential Oil of Celery Seed

Leaf Oil of Celery (Apium graveolensL.) from Cuba

STUDIES ON THE CONSTITUENTS OF UMBELLIFERAE PLANTS. VIII. DISTRIBUTION OF ALKYLPHTHALIDES IN UMBELLIFERAE PLANTS

Effect of nitrogen fertilizers on celery volatiles

Free and glycosidically bound volatile compounds in fresh celery (Apium graveolens L.)

Kessane in the Indian Celery Seed Oils

Potent odorants characterize the aroma quality of leaves and stalks in raw and boiled celery.

COMPOSITION AND ANTIMICROBIAL ACTIVITY OF CELERY (APIUM GRAVEOLENS) LEAF AND ROOT EXTRACTS OBTAINED WITH LIQUID CARBON DIOXIDE

Aromatic Volatile Composition of Celery and Celeriac Cultivars

Angelica acutiloba

2 references

Analysis and processing of Chinese herbal drugs; VI. The study of Angelicae radix

STUDIES ON THE CONSTITUENTS OF UMBELLIFERAE PLANTS. VIII. DISTRIBUTION OF ALKYLPHTHALIDES IN UMBELLIFERAE PLANTS

Asarum canadense

1 reference

Composition of the essential oil from Asarum canadense

Levisticum officinale

1 reference

STUDIES ON THE CONSTITUENTS OF UMBELLIFERAE PLANTS. VIII. DISTRIBUTION OF ALKYLPHTHALIDES IN UMBELLIFERAE PLANTS

parsley

1 reference

3-Butyl-5,6-dihydro-4H-isobenzofuran-1-one, a sensorial active phthalide in parsley roots

Scutellaria baicalensis

1 reference

Essential oil of Scutellaria baicalensis G.

Angelica gigas

2 references

Bioactivity-guided fractionation and GC/MS fingerprinting of Angelica sinensis and Angelica archangelica root components for antifungal and mosquito deterrent activity.

Identification of volatile components in Angelica species using supercritical-CO2 fluid extraction and solid phase microextraction coupled to gas chromatography-mass spectrometry.

Opopanax chironius

1 reference

Phthalides in Roots of Opopanax chironium

Conioselinum anthriscoides

7 references

Two phthalides from Ligusticum chuangxiong

Comparative study of roots ofAngelica sinensis and related umbelliferous drugs by thin layer chromatography, high-performance liquid chromatography, and liquid chromatography - mass spectrometry

Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry

Separation and Purification of Z Ligustilide and Senkyunolide A fromLigusticum chuanxiongHort. with Supercritical Fluid Extraction and High‐Speed Counter‐Current Chromatography

HPLC-coupled spectroscopic techniques (UV, MS, NMR) for the structure elucidation of phthalides in Ligusticum chuanxiong

Simultaneous qualitative and quantitative analyses of the major constituents in the rhizome of Ligusticum Chuanxiong using HPLC-DAD-MS.

Analysis of volatile oils of Ligusticum chuanxiong Hort. from different geographical origins by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry

Ligusticum striatum

7 references

Two phthalides from Ligusticum chuangxiong

Comparative study of roots ofAngelica sinensis and related umbelliferous drugs by thin layer chromatography, high-performance liquid chromatography, and liquid chromatography - mass spectrometry

Simultaneous analysis of seventeen chemical ingredients of Ligusticum chuanxiong by on-line high performance liquid chromatography-diode array detector-mass spectrometry

Separation and Purification of Z Ligustilide and Senkyunolide A fromLigusticum chuanxiongHort. with Supercritical Fluid Extraction and High‐Speed Counter‐Current Chromatography

HPLC-coupled spectroscopic techniques (UV, MS, NMR) for the structure elucidation of phthalides in Ligusticum chuanxiong

Simultaneous qualitative and quantitative analyses of the major constituents in the rhizome of Ligusticum Chuanxiong using HPLC-DAD-MS.

Analysis of volatile oils of Ligusticum chuanxiong Hort. from different geographical origins by comprehensive two-dimensional gas chromatography/time-of-flight mass spectrometry

Apiaceae

1 reference

STUDIES ON THE CONSTITUENTS OF UMBELLIFERAE PLANTS. VIII. DISTRIBUTION OF ALKYLPHTHALIDES IN UMBELLIFERAE PLANTS

subject has role

neuroprotective agent

1 reference

Medical Subject Headings

MeSH descriptor ID

C027125

platelet aggregation inhibitors

15 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

C027125

InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3

15 March 2018

Identifiers

InChI

1 reference

Butylphthalide (English)

20 November 2016

1 reference

Butylphthalide (English)

20 November 2016

2 references

butylphthalide (English)

20 November 2016

https://commonchemistry.cas.org/detail?cas_rn=6066-49-5

8 April 2021

1 reference

Butylphthalide (English)

20 November 2016

2 references

Butylphthalide (English)

20 November 2016

ChEBI ID

177504

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h4-7,11H,2-3,8H2,1H3

1 reference

RAC-3-N-BUTYLPHTHALIDE (English)

20 November 2016

2 references

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID70812273

0 references

EC number

228-000-8

1 reference

butylphthalide (English)

ECHA Substance Infocard ID

20 November 2016

100.025.455

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.025.455

27 December 2018

3-butylphthalide (English)

quotation

CAS no.: 6066-49-5 (English)

FL number

10.025

1 reference

quotation

CAS no.: 6066-49-5 (English)

23 January 2021

10.025

1 reference

28 December 2019

BUTYLPHTHALIDE (English)

quotation

CAS no.: 6066-49-5 (English)

MeSH descriptor ID

C027125

1 reference

Medical Subject Headings

14 March 2018

1 reference

butylphthalide (English)

20 November 2016

DrugBank ID

DB12749

1 reference

Human Metabolome Database ID

HMDB0032064

2 references

based on heuristic

inferred from InChIKey

KNApSAcK ID

C00062409

2 references

based on heuristic

inferred from InChIKey

2 references

butylphthalide (English)

20 November 2016

0 references

1 reference

0 references

1169

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)

inferred by common MeSH mappings on source and on Wikidata

13 May 2021

Microsoft Academic ID

0 references

1 reference

UMLS 2023