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Details

Stereochemistry ABSOLUTE
Molecular Formula C35H46O14
Molecular Weight 690.7313
Optical Activity UNSPECIFIED
Defined Stereocenters 10 / 10
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ZARAGOZIC ACID A

SMILES

CC[C@H](C)C[C@H](C)\C=C\C(=O)O[C@@H]1[C@@H](O)[C@]3(CCC(=C)[C@@H](OC(C)=O)[C@H](C)CC2=CC=CC=C2)O[C@@]1(C(O)=O)[C@@](O)([C@H](O3)C(O)=O)C(O)=O

InChI

InChIKey=DFKDOZMCHOGOBR-NCSQYGPNSA-N
InChI=1S/C35H46O14/c1-7-19(2)17-20(3)13-14-25(37)47-28-27(38)33(48-29(30(39)40)34(45,31(41)42)35(28,49-33)32(43)44)16-15-21(4)26(46-23(6)36)22(5)18-24-11-9-8-10-12-24/h8-14,19-20,22,26-29,38,45H,4,7,15-18H2,1-3,5-6H3,(H,39,40)(H,41,42)(H,43,44)/b14-13+/t19-,20+,22+,26+,27+,28+,29+,33-,34+,35-/m0/s1

HIDE SMILES / InChI

Molecular Formula C35H46O14
Molecular Weight 690.7313
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 10 / 10
E/Z Centers 1
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
78.0 pM [Ki]
216.0 nM [IC50]
620.0 nM [IC50]

PubMed

Substance Class Chemical
Record UNII
1117HVX02L
Record Status Validated (UNII)
Record Version