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Chemical structure of Guggulsterone

GC10195

Guggulsterone

Also listed as Z-Guggulsterone

Z-Guggulsterone, a component of the Ayurvedic medicinal plant Commiphora mukul, suppresses angiogenesis in vitro and in vivo with IC50 values of 1740, 1000, 220 and > 50000 nM for glucocorticoid, mineralocorticoid, androgen and farnesoid X receptors

ChemicalCAS39025-23-5MW312.45FormulaC21H28O2
CAS number
39025-23-5
Molecular weight
312.45
Formula
C21H28O2
Solubility
≥ 3·12mg/mL in DMSO with ultrasonic and warming
InChIKey
WDXRGPWQVHZTQJ-OSJVMJFVSA-N
Catalogue number
GC10195
Brand
GLPBIO
Computed properties PubChem CID 6450278 · XLogP 3.9 · TPSA 34.1 Ų · H-bond donors 0
XLogP
3.9
TPSA
34.1 Ų
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
23

SMILES C/C=C/1\C(=O)C[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C

Computed descriptors from PubChem (CID 6450278), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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