Chemical Entities of Biological Interest Ontology

Last uploaded: January 1, 2025
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Id http://purl.obolibrary.org/obo/CHEBI_50305
http://purl.obolibrary.org/obo/CHEBI_50305
Preferred Name

podophyllotoxin
Definitions
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.
Synonyms
Podophyllinic acid lactone
Condylox
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
PPT
(-)-podophyllotoxin
Podofilox
Podophyllotoxin 7
(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
Podophyllotoxin
Type http://www.w3.org/2002/07/owl#Class

All Properties

definition

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.
label
podophyllotoxin
prefLabel
podophyllotoxin
database_cross_reference
PMID:22621772
Reaxys:99163
HMDB:HMDB0031452
PMID:15803102
PMID:8112825
Drug_Central:3481
PMID:23798883
Wikipedia:Podophyllotoxin
KEGG:D05529
CAS:518-28-5
LINCS:LSM-3055
KEGG:C10874
KNApSAcK:C00000610
DrugBank:DB01179
PMID:23161544
PDBeChem:POD
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notation
CHEBI:50305
in_subset
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
has_related_synonym
Podophyllinic acid lactone
Condylox
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
PPT
(-)-podophyllotoxin
Podofilox
Podophyllotoxin 7
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id
CHEBI:50305
charge
0
has_obo_namespace
chebi_ontology
formula
C22H22O8
subClassOf
inchikey
YJGVMLPVUAXIQN-XVVDYKMHSA-N
mass
414.40530
monoisotopicmass
414.13147
has_alternative_id
CHEBI:45070
CHEBI:8280
type
smiles
[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O
has role
has_exact_synonym
(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
Podophyllotoxin
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