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Chemical structure of Hyperforin dicyclohexylammonium salt

GC43884

Hyperforin dicyclohexylammonium salt

Also listed as Hyperforin (dicyclohexylammonium salt)

Hyperforin is a natural activator of the steroid X receptor (active at 0·1 to 0·5 μg/ml) and inhibitor of several cytochrome P450 (CYP) isoforms (IC50 = 10 μg/ml for CYP2D6)

ChemicalCAS238074-03-8MW718.1FormulaC35H52O4 • C12H23N
CAS number
238074-03-8
Molecular weight
718.1
Formula
C35H52O4 • C12H23N
Solubility
DMF： 20 mg/ml,DMSO： 20 mg/ml,Ethanol： 20 mg/ml,Ethanol：PBS(pH 7·2) (1：1)： 0·5 mg/ml
InChIKey
KJVNMVCMFQAPDM-DNSWOBEMSA-N
Catalogue number
GC43884
Brand
GLPBIO
Computed properties PubChem CID 46926346 · TPSA 83.5 Ų · H-bond donors 2 · H-bond acceptors 5
TPSA
83.5 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
52

SMILES CC(C)C(=O)[C@]12C(=O)C(=C([C@](C1=O)(C[C@@H]([C@@]2(C)CCC=C(C)C)CC=C(C)C)CC=C(C)C)O)CC=C(C)C.C1CCC(CC1)NC2CCCCC2

Computed descriptors from PubChem (CID 46926346), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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