General Information of the Compound
| Compound ID |
CP0013042
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| Compound 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
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| Synonyms |
(-)-Podophyllotoxin
(5R,5aR,8aR,9R)-9-hydroxy-5-(3,4,5-trimethoxyphenyl)-5,8,8a,9-tetrahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-6(5aH)-one
518-28-5
AI3-50456
CCRIS 565
CHEBI:50305
CHEMBL61
Condyline
Condylox
EINECS 208-250-4
Furo(3',4':6,7)naphtho(2,3-d)-1,3-dioxol-6(5aH)-one,
HSDB 7238
L36H50F353
MLS000069495
NSC 24818
NSC24818
Podofilox
Podofilox (USAN)
Podofilox [USAN]
Podophyllinic acid lactone
Podophyllotoxin
Podophyllotoxin 7
Podophyllotoxin, 95%
UNII-L36H50F353
Wartec
Warticon
podophyllotoxin
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| Structure |
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| Formula |
C22H22O8
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| Molecular Weight |
414.41
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| Canonical SMILES |
COc1cc(cc(OC)c1OC)[C@H]1[C@@H]2[C@H](COC2=O)[C@@H](O)c2cc3OCOc3cc12
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| 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
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| InChIKey |
YJGVMLPVUAXIQN-XVVDYKMHSA-N
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| CAS |
518-28-5
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01049, Cytochrome P450 2C19
Protein ID: PT00905, Cytochrome P450 2C9
Protein ID: PT00986, Cytochrome P450 3A4
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8
Clinical Information about the Compound