SALVIANOLIC ACID A

Investigational

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H22O10
Molecular Weight	494.4469
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C2=C(/C=C/C3=CC(O)=C(O)C=C3)C(O)=C(O)C=C2

InChI

InChIKey=YMGFTDKNIWPMGF-UCPJVGPRSA-N

InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C26H22O10
Molecular Weight	494.4469
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
E/Z Centers	2
Optical Activity	UNSPECIFIED

Approval Year

Targets

Primary Target	Pharmacology	Potency
Carbonic anhydrase VII 34 Target ID: CHEMBL2326 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26498393	Inhibitor 8297	71.4 nM [Ki]
Carbonic anhydrase XII 30 Target ID: CHEMBL3242 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26498393	Inhibitor 8297	39.8 nM [Ki]
Carbonic anhydrase IV 33 Target ID: CHEMBL3729 Sources: https://www.ncbi.nlm.nih.gov/pubmed/26498393	Inhibitor 8297	66.6 nM [Ki]
Tyrosine-protein kinase SRC 19 Target ID: CHEMBL267 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19427202	Inhibitor 8297	36.2 µM [IC50]
Tyrosine-protein kinase LCK 12 Target ID: CHEMBL258 Sources: https://www.ncbi.nlm.nih.gov/pubmed/19427202	Inhibitor 8297	23.5 µM [IC50]

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:26:43 UTC 2023` Edited by `admin` on `Sat Dec 16 08:26:43 UTC 2023`
Record UNII	51622542XO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

SALVIANOLIC ACID A

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-((3-(2-(2-(3,4-DIHYDROXYPHENYL)ETHENYL)-3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-3,4-DIHYDROXY-, (R-(E,E))-

Systematic Name

English

(+)-SALVIANOLIC ACID A

Common Name

English

DAN PHENOLIC ACID A

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-(((2E)-3-(2-((1E)-2-(3,4-DIHYDROXYPHENYL)ETHENYL)-3,4-DIHYDROXYPHENYL)-1-OXO-2-PROPENYL)OXY)-3,4-DIHYDROXY-, (.ALPHA.R)-

Systematic Name

English

Code System Code Type Description

CAS

96574-01-5