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Chemical structure of Obtusin

GC39018

Obtusin

Also known as 1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione

Obtusin, isolated from Cassia obtusifolia Linn seed, is a highly selective and competitive human monoamine oxidase-A (hMAO-A) inhibitor with an IC50 of 11·12 μM and a Ki of 6·15 μM

ChemicalCAS70588-05-5MW344.32FormulaC18H16O7
CAS number
70588-05-5
Molecular weight
344.32
Formula
C18H16O7
Solubility
Soluble in DMSO
InChIKey
CFLNHFUPWNRWJA-UHFFFAOYSA-N
Catalogue number
GC39018
Brand
GLPBIO
Computed properties PubChem CID 155380 · XLogP 3 · TPSA 102 Ų · H-bond donors 2
XLogP
3
TPSA
102 Ų
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
3
Heavy atoms
25

SMILES CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)O

Computed descriptors from PubChem (CID 155380), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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