SCOPOLETIN

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National Institutes of Health Divider Arrow

NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C10H8O4
Molecular Weight	192.1681
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of SCOPOLETIN

Structure Search

SMILES

COC1=CC2=C(OC(=O)C=C2)C=C1O

InChI

InChIKey=RODXRVNMMDRFIK-UHFFFAOYSA-N

InChI=1S/C10H8O4/c1-13-9-4-6-2-3-10(12)14-8(6)5-7(9)11/h2-5,11H,1H3

HIDE SMILES / InChI

Molecular Formula	C10H8O4
Molecular Weight	192.1681
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 19:19:05 UTC 2023` Edited by `admin` on `Fri Dec 15 19:19:05 UTC 2023`
Record UNII	KLF1HS0SXJ
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

SCOPOLETIN

Common Name

English

GELSEMINIC ACID

Common Name

English

SCOPOLETIN [USP-RS]

Common Name

English

6-O-METHYLESCULETIN

Common Name

English

6-METHYLESCULETIN

Common Name

English

CHRYSATROPIC ACID

Common Name

English

SCOPOLETIN [MI]

Common Name

English

SCOPOLETIN (CONSTITUENT OF STINGING NETTLE) [DSC]

Common Name

English

ESCULETIN 6-METHYL ETHER

Common Name

English

MURRAYETIN

Common Name

English

NSC-405647

Code

English

SCOPOLETINE

Common Name

English

.BETA.-METHYLESCULETIN

Common Name

English

7-HYDROXY-6-METHOXY-2H-1-BENZOPYRAN-2-ONE

Systematic Name

English

ESCOPOLETIN

Common Name

English

COPOLETIN

Common Name

English

7-HYDROXY-6-METHOXYCOUMARIN

Systematic Name

English

SCOPOLETOL

Common Name

English

6-METHOXY-7-HYDROXYCOUMARIN

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C45597

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

Code System Code Type Description

CHEBI

17488

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

EPA CompTox

DTXSID0075368

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

NSC

405647

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

MERCK INDEX

m9815

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

Merck Index

WIKIPEDIA

SCOPOLETIN

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

CAS

92-61-5

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

FDA UNII

KLF1HS0SXJ

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

PUBCHEM

5280460

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

MESH

D012603

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

NCI_THESAURUS

C126100

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

ECHA (EC/EINECS)

202-171-9

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

RS_ITEM_NUM

1610090

Created by admin on Fri Dec 15 19:19:05 UTC 2023 , Edited by admin on Fri Dec 15 19:19:05 UTC 2023

PRIMARY

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