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Chemical structure of Neocryptotanshinone

GC60267

Neocryptotanshinone

Also known as 1-hydroxy-2-(1-hydroxypropan-2-yl)-8,8-dimethyl-6,7-dihydro-5H-phenanthrene-3,4-dione

Neocryptotanshinone, a fatty diterpenoids from Salvia Miltiorrhiza, inhibits lipopolysaccharide-induced inflammation by suppression of NF-κB and iNOS signaling pathways

ChemicalCAS109664-02-0MW314.38FormulaC19H22O4
CAS number
109664-02-0
Molecular weight
314.38
Formula
C19H22O4
Solubility
DMSO ： 100 mg/mL (318·09 mM; Need ultrasonic)
InChIKey
LGZFJHSOBYVDLA-UHFFFAOYSA-N
Catalogue number
GC60267
Brand
GLPBIO
Computed properties PubChem CID 184103 · XLogP 3 · TPSA 74.6 Ų · H-bond donors 2
XLogP
3
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
23

SMILES CC(CO)C1=C(C2=C(C3=C(C=C2)C(CCC3)(C)C)C(=O)C1=O)O

Computed descriptors from PubChem (CID 184103), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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