Molecular Identity
Picropodophyllin
(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
PubChem CID: 72435
Picropodophyllotoxin is an organic heterotetracyclic compound that has a furonaphthodioxole skeleton bearing 3,4,5-trimethoxyphenyl and hydroxy substituents. It has a role as an antineoplastic agent, a tyrosine kinase inhibitor, an insulin-like growth factor receptor 1 antagonist and a plant metabolite. It is a lignan, an organic heterotetracyclic compound and a furonaphthodioxole.
2D Structure
Properties
C22H22O8
Molecular Formula
414.40
Molecular Weight
g/mol
414.1315
Exact Mass
Da
2
XLogP
Drug-like (Lipinski: < 5)
92.7
TPSA
Good oral absorption (< 140 A²)
1
H-Bond Donors
8
H-Bond Acceptors
629
Complexity
SMILES
Canonical SMILES
SMILES: COC1=CC(=CC(=C1OC)OC)C2C3C(COC3=O)C(C4=CC5=C(C=C24)OCO5)OIsomeric SMILES
SMILES: COC1=CC(=CC(=C1OC)OC)[C@H]2[C@H]3[C@H](COC3=O)[C@H](C4=CC5=C(C=C24)OCO5)OSynonyms(20)
PicropodophyllinPicropodophyllotoxin477-47-4AXL1717cyclolignan PPPpicro-podophyllinAXL-1717Picropodophyllin (PPP)0F35AOI227NSC36407NSC-36407Podophyllotoxin picropodophyllin(5R,5aR,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-oneCHEBI:75251DTXSID80197245
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to Picropodophyllin
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