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Podofilox

CAT: 0931-T1121-04Size: 1 gDry Ice: NoHazardous: No
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CAT#:0931-T1121-04Size:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
518-28-5
Target
Microtubule Associated, Topoisomerase
Related Pathways
Cytoskeletal Signaling, DNA Damage/DNA Repair
Purity
0.9973
Bioactivity
Podofilox ((+) -Shikonin) is a lignan (LIGNANS) found in PODOPHYLLIN resin from the roots of PODOPHYLLUM plants. It is a potent spindle poison, toxic if taken internally, and has been used as a cathartic. It is very irritating to skin and mucous membranes, has keratolytic actions, has been used to treat warts and keratoses, and may have antineoplastic properties, as do some of its congeners and derivatives.
Smiles
O=C1[C@@]2([C@@H](C=3C([C@H](O)[C@]2(CO1)[H])=CC4=C(C3)OCO4)C5=CC(OC)=C(OC)C(OC)=C5)[H]
Molecular Formula
C22H22O8
Molecular Weight
414.41
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Podophyllotoxin

Podophyllotoxin is an organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing a 3,4,5-trimethoxyphenyl substituent. It is found in the roots and rhizomes of Podophyllum species and is used for the topical treatment of genital warts. It has a role as an antineoplastic agent, a keratolytic drug, a tubulin modulator, a microtubule-destabilising agent, an antimitotic and a plant metabolite. It is a lignan, an organic heterotetracyclic compound and a furonaphthodioxole.

CAS Number518-28-5
PubChem CID10607
IUPAC Name(5R,5aR,8aR,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular FormulaC22H22O8
Molecular Weight414.4
XLogP2
Topological Polar Surface Area92.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Heavy Atom Count30
Formal Charge0
Complexity629
SMILES
COC1=CC(=CC(=C1OC)OC)[C@H]2[C@@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)O
InChI
InChI=1S/C22H22O8/c1-25-16-4-10(5-17(26-2)21(16)27-3)18-11-6-14-15(30-9-29-14)7-12(11)20(23)13-8-28-22(24)19(13)18/h4-7,13,18-20,23H,8-9H2,1-3H3/t13-,18+,19-,20-/m0/s1
InChIKey
YJGVMLPVUAXIQN-XVVDYKMHSA-N
Chemical Structure
2D Structure
2D structure of Podophyllotoxin
CAS: 518-28-5
CID: 10607
Formula: C22H22O8
MW: 414.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight414.4
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count8
Rotatable Bond Count4
Exact Mass414.13146766
Monoisotopic Mass414.13146766
Topological Polar Surface Area92.7 Ų
Heavy Atom Count30
Formal Charge0
Complexity629
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

Alternative Products

CatalogName
C08478-100mgPodophyllotoxin (Podofilox)
BUP18050-01Podofilox
HY-15552R-01Podofilox (Standard)
HY-15552SPodofilox-d6
A10740-100Podofilox (Podophyllotoxin) 100mg
A10740-200Podofilox (Podophyllotoxin) 200mg
A10740-10mM-DPodofilox (Podophyllotoxin) 10mM * 1mL in DMSO
MBS6061467-01Podophyllotoxin (Podofilox, NSC 24818, Podophyllinic acid lactone)

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