MAREIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C21H22O11
Molecular Weight	450.3928
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](OC2=C(O)C(O)=C(C=C2)C(=O)\C=C\C3=CC(O)=C(O)C=C3)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=XGEYXJDOVMEJNG-HTFDPZBKSA-N

InChI=1S/C21H22O11/c22-8-15-18(28)19(29)20(30)21(32-15)31-14-6-3-10(16(26)17(14)27)11(23)4-1-9-2-5-12(24)13(25)7-9/h1-7,15,18-22,24-30H,8H2/b4-1+/t15-,18-,19+,20-,21-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C21H22O11
Molecular Weight	450.3928
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
Epidermal growth factor receptor erbB1 58 Target ID: CHEMBL203 Sources: https://www.ncbi.nlm.nih.gov/pubmed/16441060	Inhibitor 8297		19.0 mM [IC50]

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:57:38 GMT 2023` Edited by `admin` on `Sat Dec 16 16:57:38 GMT 2023`
Record UNII	CY787E65J4
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

MAREIN

Common Name

English

(2E)-3-(3,4-DIHYDROXYPHENYL)-1-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDROXYPHENYL)-2-PROPEN-1-ONE

Systematic Name

English

2-PROPEN-1-ONE, 3-(3,4-DIHYDROXYPHENYL)-1-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDROXYPHENYL)-

Systematic Name

English

CHALCONE, 2',3,3',4,4'-PENTAHYDROXY-, 4'-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

3-(3,4-DIHYDROXYPHENYL)-1-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDROXYPHENYL)-2-PROPEN-1-ONE

Systematic Name

English

2-PROPEN-1-ONE, 3-(3,4-DIHYDROXYPHENYL)-1-(4-(.BETA.-D-GLUCOPYRANOSYLOXY)-2,3-DIHYDROXYPHENYL)-, (E)-

Systematic Name

English

OKANIN 4'-O-.BETA.-D-GLUCOPYRANOSIDE

Systematic Name

English

Code System Code Type Description

CAS

535-96-6