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Aquayamycin

CAT: 0013-GTR19210449-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210449-03Size:100 mg
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Description
Aquayamycin is an anthracycline-derived natural product that acts as a tyrosine hydroxylase inhibitor. It is utilized in biochemical research to study catecholamine biosynthesis and has been investigated in vitro for its potential effects on neurochemical pathways.
CAS Number
26055-63-0
Field of Research
Infectious Disease & Virology
Smiles
O[C@@]12C3=C (C (=O) C=4C (C3=O) =CC=C (C4O) [C@H]5C[C@@H] (O) [C@H] (O) [C@@H] (C) O5) C=C[C@]1 (O) C[C@@] (C) (O) CC2=O
Molecular Formula
C25H26O10
Molecular Weight
486.47
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Aquayamycin

Aquayamycin is an angucycline.

CAS Number26055-63-0
PubChem CID73441
IUPAC Name(3R,4aR,12bS)-9-[(2R,4R,5S,6R)-4,5-dihydroxy-6-methyloxan-2-yl]-3,4a,8,12b-tetrahydroxy-3-methyl-2,4-dihydrobenzo[a]anthracene-1,7,12-trione
Molecular FormulaC25H26O10
Molecular Weight486.5
XLogP-1.2
Topological Polar Surface Area182
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Heavy Atom Count35
Formal Charge0
Complexity1050
SMILES
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)C4=C(C3=O)C=C[C@]5([C@@]4(C(=O)C[C@](C5)(C)O)O)O)O)O)O
InChI
InChI=1S/C25H26O10/c1-10-19(28)14(26)7-15(35-10)11-3-4-12-17(20(11)29)21(30)13-5-6-24(33)9-23(2,32)8-16(27)25(24,34)18(13)22(12)31/h3-6,10,14-15,19,26,28-29,32-34H,7-9H2,1-2H3/t10-,14-,15-,19-,23+,24+,25+/m1/s1
InChIKey
KCOULPRVOZDQEL-IFNZWHIZSA-N
Chemical Structure
2D Structure
2D structure of Aquayamycin
CAS: 26055-63-0
CID: 73441
Formula: C25H26O10
MW: 486.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight486.5
XLogP3-1.2
Hydrogen Bond Donor Count6
Hydrogen Bond Acceptor Count10
Rotatable Bond Count1
Exact Mass486.15259702
Monoisotopic Mass486.15259702
Topological Polar Surface Area182 Ų
Heavy Atom Count35
Formal Charge0
Complexity1050
Isotope Atom Count0
Defined Atom Stereocenter Count7
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T69569-01Aquayamycin

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