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Chemical structure of Palbinone

GC34701

Palbinone

Also known as (3S,5R,9R,10S)-3,17-dihydroxy-4,4,8,10,14-pentamethyl-2,3,5,6,7,9-hexahydro-1H-cyclopenta[a]phenanthrene-15,16-dione

Palbinone is a terpenoid isolated from the roots of Paeonia albiflora Pallas, potently inhibits 3α-hydroxysteroid dehydrogenase (3α-HSD), with an IC50 of 46 nM

ChemicalCAS139954-00-0MW358.47FormulaC22H30O4
CAS number
139954-00-0
Molecular weight
358.47
Formula
C22H30O4
Solubility
Soluble in DMSO
InChIKey
KIAKLFLISZCITK-DUYCYYQJSA-N
Catalogue number
GC34701
Brand
GLPBIO
Computed properties PubChem CID 192302 · XLogP 3.7 · TPSA 74.6 Ų · H-bond donors 2
XLogP
3.7
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
26

SMILES C[C@]12CC[C@@H](C([C@@H]1CCC3([C@@H]2C=CC4=C(C(=O)C(=O)C43C)O)C)(C)C)O

Computed descriptors from PubChem (CID 192302), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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