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Rhizoxin

CAT: 0013-GTR19198638-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198638-03Size:100 mg
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Description
Rhizoxin is a macrocyclic lactone antitumor agent derived from Rhizopus chinensis that disrupts microtubule dynamics by binding to tubulin. It serves as a valuable research tool for studying mitosis, cytoskeleton function, and has demonstrated antitumor activity in both cellular and animal models.
CAS Number
90996-54-6
Smiles
C[C@@]12[C@] (O1) (/C=C/[C@@H] (C) [C@]3 (C[C@@] (C[C@]4 ([C@] (C (=O) O[C@] ([C@@H] ([C@H] (/C (=C/C=C/C (=C/C5=COC (C) =N5) /C) /C) OC) C) (C[C@@H]2O) [H]) (O4) [H]) [H]) (CC (=O) O3) [H]) [H]) [H]
Molecular Formula
C35H47NO9
Molecular Weight
625.75
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Rhizoxin

Rhizoxin is an macrolide antibiotic isolated from the pathogenic plant fungus Rhizopus microsporus. It also exhibits antitumour and antimitotic activity. It has a role as a metabolite, an antineoplastic agent and an antimitotic. It is a macrolide antibiotic, an epoxide and a member of 1,3-oxazoles.

CAS Number90996-54-6
PubChem CID6437358
IUPAC Name(1S,3S,5R,8S,10S,11R,13R,14E,16R,17R)-10-hydroxy-8-[(2S,3R,4E,6E,8E)-3-methoxy-4,8-dimethyl-9-(2-methyl-1,3-oxazol-4-yl)nona-4,6,8-trien-2-yl]-11,16-dimethyl-4,7,12,18-tetraoxatetracyclo[15.3.1.03,5.011,13]henicos-14-ene-6,19-dione
Molecular FormulaC35H47NO9
Molecular Weight625.7
XLogP5.5
Topological Polar Surface Area133
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Heavy Atom Count45
Formal Charge0
Complexity1210
SMILES
C[C@@H]1/C=C/[C@@H]2[C@](O2)([C@H](C[C@H](OC(=O)[C@H]3[C@@H](O3)C[C@@H]4C[C@H]1OC(=O)C4)[C@H](C)[C@H](/C(=C/C=C/C(=C/C5=COC(=N5)C)/C)/C)OC)O)C
InChI
InChI=1S/C35H47NO9/c1-19(13-25-18-41-23(5)36-25)9-8-10-21(3)32(40-7)22(4)27-17-29(37)35(6)30(45-35)12-11-20(2)26-14-24(16-31(38)42-26)15-28-33(43-28)34(39)44-27/h8-13,18,20,22,24,26-30,32-33,37H,14-17H2,1-7H3/b9-8+,12-11+,19-13+,21-10+/t20-,22+,24+,26-,27+,28+,29+,30-,32+,33-,35-/m1/s1
InChIKey
OWPCHSCAPHNHAV-QIPOKPRISA-N
Chemical Structure
2D Structure
2D structure of Rhizoxin
CAS: 90996-54-6
CID: 6437358
Formula: C35H47NO9
MW: 625.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight625.7
XLogP35.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count10
Rotatable Bond Count7
Exact Mass625.32508208
Monoisotopic Mass625.32508208
Topological Polar Surface Area133 Ų
Heavy Atom Count45
Formal Charge0
Complexity1210
Isotope Atom Count0
Defined Atom Stereocenter Count11
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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