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Chemical structure of Tanshinone IIA anhydride

GC76256

Tanshinone IIA anhydride

Also known as 5,15,15-trimethyl-3,8-dioxatetracyclo[8.8.0.02,6.011,16]octadeca-1(10),2(6),4,11(16),17-pentaene-7,9-dione

Tanshinone IIA anhydride is a potent and irreversible human carboxylesterase (CE) inhibitor with Ki values of 1·9 nM and 1·4 nM for human CE1 and the human intestinal CE (hiCE), respectively

ChemicalCAS61077-78-9MW310.34FormulaC19H18O4
CAS number
61077-78-9
Molecular weight
310.34
Formula
C19H18O4
InChIKey
AZZOSPOHDDQAFO-UHFFFAOYSA-N
Catalogue number
GC76256
Brand
GLPBIO
Computed properties PubChem CID 14609844 · XLogP 4.6 · TPSA 56.5 Ų · H-bond donors 0
XLogP
4.6
TPSA
56.5 Ų
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
23

SMILES CC1=COC2=C1C(=O)OC(=O)C3=C2C=CC4=C3CCCC4(C)C

Computed descriptors from PubChem (CID 14609844), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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