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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H38O13
Molecular Weight 654.6577
Optical Activity ( - )
Defined Stereocenters 9 / 9
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SILVESTROL

SMILES

[H][C@]1([C@H]([C@@H](O)[C@@]2(O)C3=C(OC)C=C(O[C@@H]4O[C@]([H])(CO[C@H]4OC)[C@H](O)CO)C=C3O[C@@]12C5=CC=C(OC)C=C5)C(=O)OC)C6=CC=CC=C6

InChI

InChIKey=GVKXFVCXBFGBCD-QKDMMWSPSA-N
InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31-,32-,33+,34+/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H38O13
Molecular Weight 654.6577
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 9 / 9
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Targets

Primary TargetPharmacologyConditionPotency
60.0 nM [IC50]
Substance Class Chemical
Record UNII
KK3Y3KN5BV
Record Status Validated (UNII)
Record Version