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Neoanhydropodophyllol

CAT: 0013-GTR19188907Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188907Size:25 mg
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Description
Neoanhydropodophyllol is a cyclolignan derivative demonstrating potent cytotoxic activity against various cancer cell lines, such as leukemia, lung, and colon carcinoma. Its antineoplastic properties make it a candidate for research in oncology, particularly in mechanistic in vitro studies exploring cell death pathways.
CAS Number
62287-47-2
Smiles
[H][C@]12CO[C@] ([H]) ([C@H]1CO) c1cc3OCOc3cc1[C@H]2c1cc (OC) c (OC) c (OC) c1
Molecular Formula
C22H24O7
Molecular Weight
400.427
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Neoanhydropodophyllol
CAS Number62287-47-2
PubChem CID44272112
IUPAC Name[(1R,11R,12R,15R)-11-(3,4,5-trimethoxyphenyl)-5,7,14-trioxatetracyclo[10.2.1.02,10.04,8]pentadeca-2,4(8),9-trien-15-yl]methanol
Molecular FormulaC22H24O7
Molecular Weight400.4
XLogP2.4
Topological Polar Surface Area75.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count29
Formal Charge0
Complexity559
SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3CO[C@H]([C@H]3CO)C4=CC5=C(C=C24)OCO5
InChI
InChI=1S/C22H24O7/c1-24-18-4-11(5-19(25-2)22(18)26-3)20-12-6-16-17(29-10-28-16)7-13(12)21-14(8-23)15(20)9-27-21/h4-7,14-15,20-21,23H,8-10H2,1-3H3/t14-,15-,20+,21-/m0/s1
InChIKey
GAPFRQMOPFLDIS-YJPXFSGGSA-N
Chemical Structure
2D Structure
2D structure of Neoanhydropodophyllol
CAS: 62287-47-2
CID: 44272112
Formula: C22H24O7
MW: 400.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight400.4
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass400.15220310
Monoisotopic Mass400.15220310
Topological Polar Surface Area75.6 Ų
Heavy Atom Count29
Formal Charge0
Complexity559
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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