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Chemical structure of Danshenxinkun A

GC64226

Danshenxinkun A

Also known as 1-hydroxy-2-(1-hydroxypropan-2-yl)-8-methylphenanthrene-3,4-dione

Danshenxinkun A is a natural compound that could be isolated from Tanshen and is used in the study for heart diseases

ChemicalCAS65907-75-7MW296.32FormulaC18H16O4
CAS number
65907-75-7
Molecular weight
296.32
Formula
C18H16O4
InChIKey
GRGPQNRHXNRJFL-UHFFFAOYSA-N
Catalogue number
GC64226
Brand
GLPBIO
Computed properties PubChem CID 149138 · XLogP 2.4 · TPSA 74.6 Ų · H-bond donors 2
XLogP
2.4
TPSA
74.6 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22

SMILES CC1=C2C=CC3=C(C2=CC=C1)C(=O)C(=O)C(=C3O)C(C)CO

Computed descriptors from PubChem (CID 149138), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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