SCOPOLIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C16H18O9
Molecular Weight	354.3087
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=C(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C=C3OC(=O)C=CC3=C1

InChI

InChIKey=SGTCGCCQZOUMJJ-YMILTQATSA-N

InChI=1S/C16H18O9/c1-22-9-4-7-2-3-12(18)23-8(7)5-10(9)24-16-15(21)14(20)13(19)11(6-17)25-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C16H18O9
Molecular Weight	354.3087
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

PubMed

Title	Date	PubMed
Over-expression of a scopoletin glucosyltransferase in Nicotiana tabacum leads to precocious lesion formation during the hypersensitive response to tobacco mosaic virus but does not affect virus resistance.	2004 Jan	15159640
Agrobacterium tumefaciens AK-6b gene modulates phenolic compound metabolism in tobacco.	2004 Jan	14732276
Molecular phenotyping of the pal1 and pal2 mutants of Arabidopsis thaliana reveals far-reaching consequences on phenylpropanoid, amino acid, and carbohydrate metabolism.	2004 Oct	15377757
A new C9 nor-isoprenoid glucoside from Rantherium suaveolens.	2007 Aug	17680498
Rare biscoumarins and a chlorogenic acid derivative from Erycibe obtusifolia.	2007 Jul	17570448
Evaluation of natural substances from Evolvulus alsinoides L. with the purpose of determining their antioxidant potency.	2008 Aug	18666003
Biosynthesis of scopoletin and scopolin in cassava roots during post-harvest physiological deterioration: the E-Z-isomerisation stage.	2008 Dec	19004461
On the extent and origins of genic novelty in the phylum Nematoda.	2008 Jul 2	18596977
[Studies on chemical constituents of Saussurea laniceps].	2008 May	18652351
Managing phenol contents in crop plants by phytochemical farming and breeding-visions and constraints.	2010 Mar 2	20479987
[Chemical constituents from Hydrangea paniculata].	2010 Nov	21355271
Method development and validation for the simultaneous determination of four coumarins in Saussurea superba by capillary zone electrophoresis.	2010 Sep-Oct	21140650

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 20:09:44 GMT 2023` Edited by `admin` on `Fri Dec 15 20:09:44 GMT 2023`
Record UNII	1Y49270PY8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SCOPOLIN

Common Name

English

6-METHOXYCOUMARIN 7-O-.BETA.-D-GLUCOSIDE

Common Name

English

SCOPOLETIN 7-GLUCOSIDE

Common Name

English

SCOPOLETIN 7-O-.BETA.-D-GLUCOPYRANOSIDE

Common Name

English

NSC-404560

Code

English

SCOPOLOSIDE

Common Name

English

SCOPOLETIN 7-O-GLUCOSIDE

Common Name

English

2H-1-BENZOPYRAN-2-ONE, 7-(.BETA.-D-GLUCOPYRANOSYLOXY)-6-METHOXY-

Systematic Name

English

7-O-.BETA.-GLUCOPYRANOSYLSCOPOLETIN

Common Name

English

7-(.BETA.-D-GLUCOPYRANOSYLOXY)-6-METHOXYCOUMARIN

Common Name

English

6-METHOXY-7-(.BETA.-D-GLUCOPYRANOSYLOXY)COUMARIN

Common Name

English

SCOPOLIN [MI]

Common Name

English

Code System Code Type Description

PUBCHEM

439514