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Chemical structure of Isotanshinone IIA

GC33791

Isotanshinone IIA

Also known as 4,4,8-trimethyl-2,3-dihydro-1H-naphtho[2,1-f][1]benzofuran-7,11-dione

Isotanshinone IIA, an abietane-type diterpene metabolite, could non-competitively inhibit Protein Tyrosine Phosphatase 1B (PTP1B) activity with an IC50 0f 11·4 μM

ChemicalCAS20958-15-0MW294.34FormulaC19H18O3
CAS number
20958-15-0
Molecular weight
294.34
Formula
C19H18O3
Solubility
Soluble in DMSO
InChIKey
QHGPIJMPUOVBOL-UHFFFAOYSA-N
Catalogue number
GC33791
Brand
GLPBIO
Computed properties PubChem CID 626354 · XLogP 4.9 · TPSA 47.3 Ų · H-bond donors 0
XLogP
4.9
TPSA
47.3 Ų
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
22

SMILES CC1=COC2=C1C(=O)C3=C(C2=O)C4=C(C=C3)C(CCC4)(C)C

Computed descriptors from PubChem (CID 626354), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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