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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 of ISORHAPONTIN

SMILES

COC1=C(O)C=CC(\C=C\C2=CC(O)=CC(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)=C2)=C1

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

Targets

Primary TargetPharmacologyConditionPotency
70.0 µM [IC50]
PubMed

PubMed

TitleDatePubMed
Biosynthesis of the major tetrahydroxystilbenes in spruce, astringin and isorhapontin, proceeds via resveratrol and is enhanced by fungal infection.
2011 Oct
In Planta Localization of Stilbenes within Picea abies Phloem.
2016 Oct
Optimization of Bioactive Polyphenols Extraction from Picea Mariana Bark.
2017 Dec 1
Substance Class Chemical
Created
by admin
on Sat Dec 16 17:31:19 GMT 2023
Edited
by admin
on Sat Dec 16 17:31:19 GMT 2023
Record UNII
BNH6WEN5L8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ISORHAPONTIN
Common Name English
E-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-β-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
Created by admin on Sat Dec 16 17:31:19 GMT 2023 , Edited by admin on Sat Dec 16 17:31:19 GMT 2023
PRIMARY
CAS
32727-29-0
Created by admin on Sat Dec 16 17:31:19 GMT 2023 , Edited by admin on Sat Dec 16 17:31:19 GMT 2023
PRIMARY
EPA CompTox
DTXSID701031823
Created by admin on Sat Dec 16 17:31:19 GMT 2023 , Edited by admin on Sat Dec 16 17:31:19 GMT 2023
PRIMARY
PUBCHEM
5281716
Created by admin on Sat Dec 16 17:31:19 GMT 2023 , Edited by admin on Sat Dec 16 17:31:19 GMT 2023
PRIMARY
FDA UNII
BNH6WEN5L8
Created by admin on Sat Dec 16 17:31:19 GMT 2023 , Edited by admin on Sat Dec 16 17:31:19 GMT 2023
PRIMARY