CATALPOL

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C15H22O10
Molecular Weight	362.3292
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H][C@]12OC1(CO)[C@]3([H])[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)OC=C[C@]3([H])[C@H]2O

InChI

InChIKey=LHDWRKICQLTVDL-IZSBTIMLSA-N

InChI=1S/C15H22O10/c16-3-6-9(19)10(20)11(21)14(23-6)24-13-7-5(1-2-22-13)8(18)12-15(7,4-17)25-12/h1-2,5-14,16-21H,3-4H2/t5-,6+,7-,8+,9+,10-,11+,12+,13+,14-,15?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C15H22O10
Molecular Weight	362.3292
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	9 / 11
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Cyclooxygenase-1 127 Target ID: CHEMBL221 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26351040	Inhibitor 8297
Cyclooxygenase-2 196 Target ID: CHEMBL230 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26351040	Inhibitor 8297

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:57:53 GMT 2023` Edited by `admin` on `Sat Dec 16 08:57:53 GMT 2023`
Record UNII	JCX5L7JIC2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CATALPOL

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID60178850