VERPROSIDE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C22H26O13
Molecular Weight	498.434
Optical Activity	UNSPECIFIED
Defined Stereocenters	11 / 11
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC[C@H]1O[C@@H](O[C@@H]2OC=C[C@H]3[C@H](OC(=O)C4=CC=C(O)C(O)=C4)[C@@H]5O[C@]5(CO)[C@@H]23)[C@H](O)[C@@H](O)[C@@H]1O

InChI

InChIKey=DBUOUVZMYWYRRI-YWEKDMGLSA-N

InChI=1S/C22H26O13/c23-6-12-14(27)15(28)16(29)21(32-12)34-20-13-9(3-4-31-20)17(18-22(13,7-24)35-18)33-19(30)8-1-2-10(25)11(26)5-8/h1-5,9,12-18,20-21,23-29H,6-7H2/t9-,12-,13-,14-,15+,16-,17+,18+,20+,21+,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C22H26O13
Molecular Weight	498.434
Charge	0
Count

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

Approval Year

Targets

Primary Target	Pharmacology	Condition	Potency
Sulfotransferase 1A1 1 Target ID: CHEMBL1743291 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28441724	Substrate 661
UDP-glucuronosyltransferase 1-10 2 Target ID: CHEMBL1743320 Sources: https://www.ncbi.nlm.nih.gov/pubmed/28441724	Substrate 661
Mucin-5AC 2 Target ID: P98088\|\|\|Q8N4M9 Gene ID: 4586.0 Gene Symbol: MUC5AC Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/26318254	Modulator 846

Substance Class	Chemical Created by `admin` on `Wed Apr 02 04:31:18 GMT 2025` Edited by `admin` on `Wed Apr 02 04:31:18 GMT 2025`
Record UNII	96K9991JMW
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PROTOCATECHUOYL CATALPOL

Preferred Name

English

VERPROSIDE

Common Name

English

.BETA.-D-GLUCOPYRANOSIDE, 6-((3,4-DIHYDROXYBENZOYL)OXY)-1A,1B,2,5A,6,6A-HEXAHYDRO-1A-(HYDROXYMETHYL)OXIRENO(4,5)CYCLOPENTA(1,2-C)PYRAN-2-YL, (1AS-(1A.ALPHA.,1B.BETA.,2.BETA.,5A.BETA.,6.BETA.,6A.ALPHA.))-

Systematic Name

English

Code System Code Type Description

CAS

50932-20-2

Created by admin on Wed Apr 02 04:31:18 GMT 2025 , Edited by admin on Wed Apr 02 04:31:18 GMT 2025

PRIMARY

EPA CompTox

DTXSID901345779

Created by admin on Wed Apr 02 04:31:18 GMT 2025 , Edited by admin on Wed Apr 02 04:31:18 GMT 2025

PRIMARY

PUBCHEM

12000799

Created by admin on Wed Apr 02 04:31:18 GMT 2025 , Edited by admin on Wed Apr 02 04:31:18 GMT 2025

PRIMARY

FDA UNII

96K9991JMW

Created by admin on Wed Apr 02 04:31:18 GMT 2025 , Edited by admin on Wed Apr 02 04:31:18 GMT 2025

PRIMARY

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