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Chemical structure of Danshenol A

GC75032

Danshenol A

Also known as (1R,10S)-10-hydroxy-1,6-dimethyl-10-(2-oxopropyl)-1,2-dihydronaphtho[1,2-g][1]benzofuran-11-one

Danshenol A, an abietane-type diterpenoid, is an aldose reductase (AR) inhibitor with an IC50 of 0·1 μM

ChemicalCAS189308-08-5MW336.38FormulaC21H20O4
CAS number
189308-08-5
Molecular weight
336.38
Formula
C21H20O4
Solubility
DMSO： ≥ 12·5 mg/mL (37·16 mM)
InChIKey
WQYKPUPMMFGHQW-QKVFXAPYSA-N
Catalogue number
GC75032
Brand
GLPBIO
Computed properties PubChem CID 3083514 · XLogP 3 · TPSA 63.6 Ų · H-bond donors 1
XLogP
3
TPSA
63.6 Ų
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25

SMILES C[C@H]1COC2=C1C(=O)[C@@](C3=C2C=CC4=C(C=CC=C43)C)(CC(=O)C)O

Computed descriptors from PubChem (CID 3083514), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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