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Obtusin

CAT: 0931-TN2004-04Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-TN2004-04Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
70588-05-5
Target
Monoamine Oxidase, MAO
Related Pathways
Metabolism, Neuroscience
Purity
0.9913
Bioactivity
Obtusin is a natural product.
Smiles
COc1cc2C(=O)c3cc(C)c(O)c(OC)c3C(=O)c2c(O)c1OC
Molecular Formula
C18H16O7
Molecular Weight
344.32
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Obtusin

Obtusin is a dihydroxyanthraquinone.

CAS Number70588-05-5
PubChem CID155380
IUPAC Name1,7-dihydroxy-2,3,8-trimethoxy-6-methylanthracene-9,10-dione
Molecular FormulaC18H16O7
Molecular Weight344.3
XLogP3
Topological Polar Surface Area102
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity536
SMILES
CC1=CC2=C(C(=C1O)OC)C(=O)C3=C(C(=C(C=C3C2=O)OC)OC)O
InChI
InChI=1S/C18H16O7/c1-7-5-8-12(18(25-4)13(7)19)15(21)11-9(14(8)20)6-10(23-2)17(24-3)16(11)22/h5-6,19,22H,1-4H3
InChIKey
CFLNHFUPWNRWJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Obtusin
CAS: 70588-05-5
CID: 155380
Formula: C18H16O7
MW: 344.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight344.3
XLogP33
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass344.08960285
Monoisotopic Mass344.08960285
Topological Polar Surface Area102 Ų
Heavy Atom Count25
Formal Charge0
Complexity536
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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