SENKYUNOLIDE I

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Details

Stereochemistry	RACEMIC
Molecular Formula	C12H16O4
Molecular Weight	224.253
Optical Activity	( + / - )
Defined Stereocenters	2 / 2
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure of SENKYUNOLIDE I

Structure Search

SMILES

CCC\C=C1/OC(=O)C2=C1CC[C@H](O)[C@H]2O

InChI

InChIKey=DQNGMIQSXNGHOA-JXQVETIVSA-N

InChI=1S/C12H16O4/c1-2-3-4-9-7-5-6-8(13)11(14)10(7)12(15)16-9/h4,8,11,13-14H,2-3,5-6H2,1H3/b9-4-/t8-,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C12H16O4
Molecular Weight	224.253
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:29:19 UTC 2023` Edited by `admin` on `Sat Dec 16 08:29:19 UTC 2023`
Record UNII	12PJ07292V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SENKYUNOLIDE I

Common Name

English

LIGUSTILIDIOL

Common Name

English

LIGUSTILIDIOL, (Z)-

Common Name

English

(Z)-LIGUSTILIDIOL

Common Name

English

1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-4,5,6,7-TETRAHYDRO-6,7-DIHYDROXY-, (3Z,6.ALPHA.,7.BETA.)-

Common Name

English

TRANS-6,7-DIHYDROXYLIGUSTILIDE

Common Name

English

1(3H)-ISOBENZOFURANONE, 3-BUTYLIDENE-4,5,6,7-TETRAHYDRO-6,7-DIHYDROXY-, (3Z,6R,7R)-REL-

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID001317406

Created by admin on Sat Dec 16 08:29:19 UTC 2023 , Edited by admin on Sat Dec 16 08:29:19 UTC 2023

PRIMARY

FDA UNII

12PJ07292V

Created by admin on Sat Dec 16 08:29:19 UTC 2023 , Edited by admin on Sat Dec 16 08:29:19 UTC 2023

PRIMARY

CAS

88551-87-5

Created by admin on Sat Dec 16 08:29:19 UTC 2023 , Edited by admin on Sat Dec 16 08:29:19 UTC 2023

ALTERNATIVE

PUBCHEM

11521428

Created by admin on Sat Dec 16 08:29:19 UTC 2023 , Edited by admin on Sat Dec 16 08:29:19 UTC 2023

PRIMARY

CAS

94596-28-8

Created by admin on Sat Dec 16 08:29:19 UTC 2023 , Edited by admin on Sat Dec 16 08:29:19 UTC 2023

PRIMARY

Related Record Type Details


					T8CL3168L1

ANGELICA SINENSIS ROOT OIL

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

Senkyunolide I, coniferyl ferulate, senkyunolide A, 3-butylphthalide, Z-butylidenephthalide and levistolide A were isolated from essential oil of Angelica sinensis.

Related Record Type Details


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PARENT -> METABOLITE ACTIVE

Interaction Type:

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Amount: