ALOENIN

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C19H22O10
Molecular Weight	410.372
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

COC1=CC(=O)OC(=C1)C2=C(O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)C=C(O)C=C2C

InChI

InChIKey=KFJNVVJUICKJEQ-LQDZTQBFSA-N

InChI=1S/C19H22O10/c1-8-3-9(21)4-11(15(8)12-5-10(26-2)6-14(22)27-12)28-19-18(25)17(24)16(23)13(7-20)29-19/h3-6,13,16-21,23-25H,7H2,1-2H3/t13-,16-,17+,18-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C19H22O10
Molecular Weight	410.372
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclooxygenase-1 127 Target ID: CHEMBL221 Sources: https://www.sciencedirect.com/science/article/pii/S0254629916304537?via%3Dihub	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:05:03 GMT 2023` Edited by `admin` on `Sat Dec 16 10:05:03 GMT 2023`
Record UNII	AN96CW6CSU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

ALOENIN

Common Name

English

2H-PYRAN-2-ONE, 6-(2-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXY-6-METHYLPHENYL)-4-METHOXY-

Systematic Name

English

ALOENIN A

Common Name

English

6-(2-(.BETA.-D-GLUCOPYRANOSYLOXY)-4-HYDROXY-6-METHYLPHENYL)-4-METHOXY-2H-PYRAN-2-ONE

Systematic Name

English

ALOEARBONASIDE

Common Name

English

Code System Code Type Description

CAS

38412-46-3

Created by admin on Sat Dec 16 10:05:03 GMT 2023 , Edited by admin on Sat Dec 16 10:05:03 GMT 2023

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PUBCHEM

162305

Created by admin on Sat Dec 16 10:05:03 GMT 2023 , Edited by admin on Sat Dec 16 10:05:03 GMT 2023

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FDA UNII

AN96CW6CSU

Created by admin on Sat Dec 16 10:05:03 GMT 2023 , Edited by admin on Sat Dec 16 10:05:03 GMT 2023

PRIMARY

EPA CompTox

DTXSID10191751

Created by admin on Sat Dec 16 10:05:03 GMT 2023 , Edited by admin on Sat Dec 16 10:05:03 GMT 2023

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