ISORHAPONTIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H24O9
Molecular Weight	420.4099
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(\C=C\C2=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=CC(O)=C2)=CC=C1O

InChI

InChIKey=KLPUXMNQDCUPNO-DXKBKAGUSA-N

InChI=1S/C21H24O9/c1-28-16-8-11(4-5-15(16)24)2-3-12-6-13(23)9-14(7-12)29-21-20(27)19(26)18(25)17(10-22)30-21/h2-9,17-27H,10H2,1H3/b3-2+/t17-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H24O9
Molecular Weight	420.4099
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	5 / 5
E/Z Centers	1
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Xanthine dehydrogenase/oxidase 41 Target ID: CHEMBL1075246 Sources: https://www.ncbi.nlm.nih.gov/pubmed/11301865	Inhibitor 8504		70.0 µM [IC50]

PubMed

Title	Date	PubMed
Optimization of Bioactive Polyphenols Extraction from Picea Mariana Bark.	2017-12-01	29194377
In Planta Localization of Stilbenes within Picea abies Phloem.	2016-10	27531441
Biosynthesis of the major tetrahydroxystilbenes in spruce, astringin and isorhapontin, proceeds via resveratrol and is enhanced by fungal infection.	2011-10	21865488

Substance Class	Chemical Created by `admin` on `Wed Apr 02 09:16:18 GMT 2025` Edited by `admin` on `Wed Apr 02 09:16:18 GMT 2025`
Record UNII	BNH6WEN5L8
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

E-Isorhapontin

Preferred Name

English

ISORHAPONTIN

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, 3-HYDROXY-5-(2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)PHENYL, (E)-

Systematic Name

English

ISORHAPONTIGENIN 3-(.BETA.-D-GLUCOPYRANOSIDE)

Common Name

English

Isorhapontigenin 3-O-?-D-glucoside

Common Name

English

3,4',5-TRIHYDROXY-3'-METHOXYSTILBENE 3-O-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

3-HYDROXY-5-((1E)-2-(4-HYDROXY-3-METHOXYPHENYL)ETHENYL)PHENYL .BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

(2S,3R,4S,5S,6R)-2-[3-hydroxy-5-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

Systematic Name

English

Code System Code Type Description

WIKIPEDIA

Isorhapontin