input word = C00034542

Metabolite InformationStructural formula
Name Hyperforin
Formula C35H52O4
Mw 536.38656015
CAS RN 11079-53-1
C_ID C00034542 ,
InChIKey IWBJJCOKGLUQIZ-GXUKJDDZNA-N
InChICode InChI=1S/C35H52O4/c1-22(2)13-12-19-33(11)27(16-14-23(3)4)21-34(20-18-25(7)8)30(37)28(17-15-24(5)6)31(38)35(33,32(34)39)29(36)26(9)10/h13-15,18,26-27,38H,12,16-17,19-21H2,1-11H3/t27-,33+,34+,35-/m0/s1
SMILES C1(=C([C@@]2([C@]([C@H](C[C@](C1=O)(C2=O)CC=C(C)C)CC=C(C)C)(C)CCC=C(C)C)C(=O)C(C)C)O)CC=C(C)C
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
PlantaeHypericaceaeHypericum ascyron Ref.
PlantaeHypericaceaeHypericum barbatum Jacq. Ref.
PlantaeHypericaceaeHypericum curvisepalum Ref.
PlantaeHypericaceaeHypericum elodioides Ref.
PlantaeHypericaceaeHypericum faberi Ref.
PlantaeHypericaceaeHypericum hirsutum L. Ref.
PlantaeHypericaceaeHypericum japonicum Ref.
PlantaeHypericaceaeHypericum lancasteri Ref.
PlantaeHypericaceaeHypericum linarioides BOSSE Ref.
PlantaeHypericaceaeHypericum maculatum Crantz Ref.
PlantaeHypericaceaeHypericum patulum Ref.
PlantaeHypericaceaeHypericum perforatum Ref.
PlantaeHypericaceaeHypericum rumeliacum BOISS. Ref.
PlantaeHypericaceaeHypericum sampsonii Ref.
PlantaeHypericaceaeHypericum subsessile Ref.
PlantaeHypericaceaeHypericum tetrapterum Fries Ref.
PlantaeHypericaceaeHypericum wightianum Ref.
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OrganismHypericum rumeliacum BOISS.
ReferenceSmelcerovic,Phytochem.,67,(2006),171