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Chemical structure of 2-Hydroxyemodin

GC64336

2-Hydroxyemodin

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

2-Hydroxyemodin is an active metabolite of emodin in the hepatic microsomes

ChemicalCAS641-90-7MW286.24FormulaC15H10O6
CAS number
641-90-7
Molecular weight
286.24
Formula
C15H10O6
InChIKey
LAOFTEMTSXNIIM-UHFFFAOYSA-N
Catalogue number
GC64336
Brand
GLPBIO
Computed properties PubChem CID 11818503 · XLogP 2.4 · TPSA 115 Ų · H-bond donors 4
XLogP
2.4
TPSA
115 Ų
H-bond donors
4
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
21

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

Computed descriptors from PubChem (CID 11818503), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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