Phyto4Health

Furohyperforin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL3581588
PubChem: 11800844
IUPAC: (1S,3S,8R,9R,10S)-3-(2-hydroxypropan-2-yl)-9-methyl-6,10-bis(3-methylbut-2-enyl)-9-(4-methylpent-3-enyl)-8-(2-methylpropanoyl)-4-oxatricyclo[6.3.1.01,5]dodec-5-ene-7,12-dione
Standard InChI: InChI=1S/C35H52O5/c1-21(2)13-12-18-33(11)25(16-14-22(3)4)19-34-20-27(32(9,10)39)40-30(34)26(17-15-23(5)6)29(37)35(33,31(34)38)28(36)24(7)8/h13-15,24-25,27,39H,12,16-20H2,1-11H3/t25-,27-,33+,34-,35-/m0/s1
Standard InChI Key: SUOQGZCCNGMYHT-WYSBIKLGSA-N
SMILES: CC(=CCC[C@]1(C)[C@@H](CC=C(C)C)C[C@]23C(=O)[C@]1(C(=O)C(C)C)C(=O)C(=C3O[C@@H](C2)C(O)(C)C)CC=C(C)C)C

Molecular propeties

AlogP: 7.64
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 1
Rotatable bonds: 10
Number of rings: 3
Molecular Weight: 552.38
Topological polar surface area: 80.7
Number of aromatic rings: 0
Fsp3: 0.686
Number of carbons: 35

Plant sources

Part of plant Plant name Ref.
PlantHypericum perforatum
PlantHypericum perforatum
PlantHypericum perforatum
PlantHypericum perforatum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.