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17β-Hydroxywortmannin

CAT: 0931-T84510-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T84510-01Size:10 mg
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CAS Number
58053-83-1
Target
Others, PI3K
Related Pathways
PI3K/Akt/mTOR signaling, Others
Bioactivity
17β-Hydroxywortmannin is an orally active phosphatidylinositol-3-kinase (PI-3-kinase) inhibitor, exhibiting an IC50 of 0.5 nM and notably suppresses osteoclast resorption at an IC50 of 10 nM. Additionally, it demonstrates antitumor activity.
Smiles
C[C@@]12C3=C([C@]4([C@](C)(C[C@H]3OC(C)=O)[C@@H](O)CC4)[H])C(=O)C5=C1C(C(=O)O[C@@H]2COC)=CO5
Molecular Formula
C23H26O8
Molecular Weight
430.45
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

17beta-Hydroxy wortmannin
CAS Number58053-83-1
PubChem CID9867340
IUPAC Name[(1R,3R,5S,6S,9R,18S)-6-hydroxy-18-(methoxymethyl)-1,5-dimethyl-11,16-dioxo-13,17-dioxapentacyclo[10.6.1.02,10.05,9.015,19]nonadeca-2(10),12(19),14-trien-3-yl] acetate
Molecular FormulaC23H26O8
Molecular Weight430.4
XLogP1.5
Topological Polar Surface Area112
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count31
Formal Charge0
Complexity879
SMILES
CC(=O)O[C@@H]1C[C@]2([C@@H](CC[C@@H]2O)C3=C1[C@]4([C@H](OC(=O)C5=COC(=C54)C3=O)COC)C)C
InChI
InChI=1S/C23H26O8/c1-10(24)30-13-7-22(2)12(5-6-14(22)25)16-18(13)23(3)15(9-28-4)31-21(27)11-8-29-20(17(11)23)19(16)26/h8,12-15,25H,5-7,9H2,1-4H3/t12-,13+,14-,15+,22-,23-/m0/s1
InChIKey
XLJORQYAOTYVQS-OGCOKEDGSA-N
Chemical Structure
2D Structure
2D structure of 17beta-Hydroxy wortmannin
CAS: 58053-83-1
CID: 9867340
Formula: C23H26O8
MW: 430.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight430.4
XLogP31.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass430.16276778
Monoisotopic Mass430.16276778
Topological Polar Surface Area112 Ų
Heavy Atom Count31
Formal Charge0
Complexity879
Isotope Atom Count0
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes