loading...| Preferred Name |
podophyllotoxin |
|
| Synonyms |
(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 (-)-podophyllotoxin Podophyllotoxin 7 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 Podophyllinic acid lactone Condylox PPT Podofilox |
|
| 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. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_50305 |
|
| charge |
0 |
|
| database_cross_reference |
PDBeChem:POD DrugBank:DB01179 KEGG:C10874 Drug_Central:3481 PMID:22621772 PMID:23161544 Reaxys:99163 KNApSAcK:C00000610 KEGG:D05529 HMDB:HMDB0031452 PMID:8112825 CAS:518-28-5 PMID:15803102 PMID:23798883 Wikipedia:Podophyllotoxin LINCS:LSM-3055 |
|
| 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. |
|
| formula |
C22H22O8 |
|
| has role |
http://purl.obolibrary.org/obo/CHEBI_35610 http://purl.obolibrary.org/obo/CHEBI_76924 |
|
| has_alternative_id |
CHEBI:45070 CHEBI:8280 |
|
| 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 |
|
| has_obo_namespace |
chebi_ontology |
|
| has_related_synonym |
(-)-podophyllotoxin Podophyllotoxin 7 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 Podophyllinic acid lactone Condylox PPT Podofilox |
|
| has_RxCUI |
8463 |
|
| id |
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 |
|
| inchikey |
YJGVMLPVUAXIQN-XVVDYKMHSA-N |
|
| label |
podophyllotoxin podofilox |
|
| mass |
414.40530 |
|
| monoisotopicmass |
414.13147 |
|
| notation |
CHEBI:50305 |
|
| prefLabel |
podophyllotoxin |
|
| smiles |
[H][C@]12COC(=O)[C@]1([H])[C@H](c1cc(OC)c(OC)c(OC)c1)c1cc3OCOc3cc1[C@@H]2O |
|
| subClassOf |