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Chemical Entities of Biological Interest Ontology
Last uploaded:
November 5, 2024
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| Preferred Name | digitoxigenin | |
| Synonyms |
Thevetigenin Evonogenin Cerberigenin Echujetin 3beta,14-dihydroxy-5beta-card-20(22)-enolide |
|
| Definitions |
A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22). |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_42219 |
|
| charge |
0
|
|
| database_cross_reference |
PDBeChem:DTX PMID:10438974 CAS:143-62-4 Wikipedia:Digitoxigenin Beilstein:95448 LIPID_MAPS_instance:LMST01120001
|
|
| definition |
A 5beta-cardenolide that is 5beta-cardanolide with hydroxy substituents at the 3beta- and 14beta-positions and double bond unsaturation at C(20)-C(22).
|
|
| formula |
C23H34O4
|
|
| has parent hydride | ||
| has_alternative_id |
CHEBI:42214 CHEBI:38073
|
|
| has_exact_synonym |
3beta,14-dihydroxy-5beta-card-20(22)-enolide
|
|
| has_obo_namespace |
chebi_ontology
|
|
| has_related_synonym |
Thevetigenin Evonogenin Cerberigenin Echujetin
|
|
| id |
CHEBI:42219
|
|
| in_subset | ||
| inchi |
InChI=1S/C23H34O4/c1-21-8-5-16(24)12-15(21)3-4-19-18(21)6-9-22(2)17(7-10-23(19,22)26)14-11-20(25)27-13-14/h11,15-19,24,26H,3-10,12-13H2,1-2H3/t15-,16+,17-,18+,19-,21+,22-,23+/m1/s1
|
|
| inchikey |
XZTUSOXSLKTKJQ-CESUGQOBSA-N
|
|
| label |
digitoxigenin
|
|
| mass |
374.51366
|
|
| monoisotopicmass |
374.24571
|
|
| notation |
CHEBI:42219
|
|
| prefLabel |
digitoxigenin
|
|
| smiles |
[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])(CC[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2
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| treeView | ||
| subClassOf |
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