(Z)-3-butylidene-7-hydroxyphthalide (Q27105462)

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chemical compound

• (3Z)-3-butylidene-7-hydroxyisobenzofuran-1(3H)-one
• senkyunolide B
• 7-hydroxy-3-butylidenephthalide

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Language	Label	Description	Also known as
English	(Z)-3-butylidene-7-hydroxyphthalide	chemical compound	(3Z)-3-butylidene-7-hydroxyisobenzofuran-1(3H)-one senkyunolide B 7-hydroxy-3-butylidenephthalide

Statements

instance of

type of chemical entity

0 references

subclass of

biogenic isobenzofuran

0 references

chemical structure

Senkyunolide B.svg
395 × 405; 10 KB

0 references

mass

204.078644±0 dalton

1 reference

stated in

PubChem

PubChem CID

5281559

language of work or name

English

title

senkyunolide B (English)

retrieved

5 October 2016

chemical formula

C₁₂H₁₂O₃

1 reference

stated in

PubChem

PubChem CID

5281559

language of work or name

English

title

senkyunolide B (English)

retrieved

5 October 2016

canonical SMILES

CCCC=C1C2=C(C(=CC=C2)O)C(=O)O1

1 reference

stated in

PubChem

PubChem CID

5281559

language of work or name

English

title

senkyunolide B (English)

retrieved

5 October 2016

isomeric SMILES

CCC/C=C\1/C2=C(C(=CC=C2)O)C(=O)O1

1 reference

stated in

PubChem

PubChem CID

5281559

language of work or name

English

title

senkyunolide B (English)

retrieved

5 October 2016

found in taxon

Angelica sinensis

1 reference

stated in

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

Ligusticum chuanxiong

1 reference

stated in

Two phthalides from Ligusticum chuangxiong

Conioselinum anthriscoides

1 reference

stated in

Two phthalides from Ligusticum chuangxiong

Ligusticum striatum

1 reference

stated in

Two phthalides from Ligusticum chuangxiong

Oreocome striata

2 references

stated in

Studies on the constituents of umbelliferae plantx. XVII. Structures of three new ligustilide derivatives from Ligusticum wallichii.

stated in

Phthalides from the rhizome of Ligusticum wallichii

Identifiers

InChI

InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7-

1 reference

stated in

PubChem

PubChem CID

5281559

language of work or name

English

title

senkyunolide B (English)

retrieved

5 October 2016

InChIKey

XLFDJKJEYMKLJX-YFHOEESVSA-N

2 references

stated in

PubChem

PubChem CID

5281559

language of work or name

English

title

senkyunolide B (English)

retrieved

5 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

93236-67-0

2 references

stated in

ChEBI

ChEBI ID

1458

language of work or name

English

title

(Z)-3-butylidene-7-hydroxyphthalide (English)

retrieved

5 October 2016

InChIKey

XLFDJKJEYMKLJX-YFHOEESVSA-N

stated in

CAS Common Chemistry

retrieved

9 April 2021

reference URL

https://commonchemistry.cas.org/detail?cas_rn=93236-67-0

ChemSpider ID

4444884

1 reference

stated in

ChemSpider

ChemSpider ID

4444884

language of work or name

English

title

(3Z)-3-Butylidene-7-hydroxy-2-benzofuran-1(3H)-one (English)

retrieved

5 October 2016

PubChem CID

5281559

2 references

stated in

PubChem

PubChem CID

5281559

language of work or name

English

title

senkyunolide B (English)

retrieved

5 October 2016

matched by identifier from

InChIKey

InChIKey

XLFDJKJEYMKLJX-YFHOEESVSA-N

Reaxys registry number

3544588

1 reference

stated in

ChEBI

ChEBI ID

1458

language of work or name

English

title

(Z)-3-butylidene-7-hydroxyphthalide (English)

retrieved

5 October 2016

ChEBI ID

1458

mapping relation type

exact match

2 references

stated in

ChEBI

ChEBI ID

1458

language of work or name

English

title

(Z)-3-butylidene-7-hydroxyphthalide (English)

retrieved

5 October 2016

matched by identifier from

International Chemical Identifier

InChI

InChI=1S/C12H12O3/c1-2-3-7-10-8-5-4-6-9(13)11(8)12(14)15-10/h4-7,13H,2-3H2,1H3/b10-7-

UniChem compound ID

1071999

1 reference

stated in

UniChem

DSSTox substance ID

DTXSID301025422

1 reference

matched by identifier from

InChIKey

InChIKey

XLFDJKJEYMKLJX-YFHOEESVSA-N

KNApSAcK ID

C00002983

3 references

stated in

ChEBI

ChEBI ID

1458

language of work or name

English

title

(Z)-3-butylidene-7-hydroxyphthalide (English)

retrieved

5 October 2016

based on heuristic

inferred from InChIKey

matched by identifier from

InChIKey

InChIKey

XLFDJKJEYMKLJX-YFHOEESVSA-N

KEGG ID

C09921

1 reference

stated in

ChEBI

ChEBI ID

1458

language of work or name

English

title

(Z)-3-butylidene-7-hydroxyphthalide (English)

retrieved

5 October 2016

 

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Wiktionary(0 entries)

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