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Chemical structure of 2-Hydroxyl emodin-1-methyl ether

GC68520

2-Hydroxyl emodin-1-methyl ether

Also known as 2,6,8-trihydroxy-1-methoxy-3-methylanthracene-9,10-dione

2-Hydroxyl emodin-1-methyl ether (Compound 5) is an anthraquinone compound that can be isolated from the seeds of Cassia obtusifolia

ChemicalCAS346434-45-5MW300.26FormulaC16H12O6
CAS number
346434-45-5
Molecular weight
300.26
Formula
C16H12O6
InChIKey
JGWNHIDADWFGIJ-UHFFFAOYSA-N
Catalogue number
GC68520
Brand
GLPBIO
Computed properties PubChem CID 10086148 · XLogP 2.7 · TPSA 104 Ų · H-bond donors 3
XLogP
2.7
TPSA
104 Ų
H-bond donors
3
H-bond acceptors
6
Rotatable bonds
1
Heavy atoms
22

SMILES CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C2=O)C=C(C=C3O)O

Computed descriptors from PubChem (CID 10086148), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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