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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 of SALVIANOLIC ACID A

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
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 2
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
71.4 nM [Ki]
39.8 nM [Ki]
66.6 nM [Ki]
36.2 µM [IC50]
23.5 µM [IC50]

PubMed

Substance Class Chemical
Record UNII
51622542XO
Record Status Validated (UNII)
Record Version