CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: gitoxigenin
Accession: CHEBI:38105
browse the term
Definition: A 16beta-hydroxy steroid that has formula C23H34O5.
Synonyms: exact_synonym: 3beta,14,16beta-trihydroxy-5beta-card-20(22)-enolide
related_synonym: 16beta-Hydroxydigitoxigenin; Formula=C23H34O5; InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-16(21)6-8-22(2)20(13-9-19(26)28-12-13)18(25)11-23(17,22)27/h9,14-18,20,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16+,17-,18+,20+,21+,22-,23+/m1/s1; InChIKey=PVAMXWLZJKTXFW-VQMOFDJESA-N; SMILES=[H][C@]12CC[C@]3([H])[C@]([H])(CC[C@]4(C)[C@]([H])([C@@H](O)C[C@]34O)C3=CC(=O)OC3)[C@@]1(C)CC[C@H](O)C2
xref: Beilstein:96483; CAS:545-26-6
G
ATP1A1
ATPase Na+/K+ transporting subunit alpha 1
decreases activity
EXP
oleandrin results in decreased activity of ATP1A1 protein
CTD
PMID:28438630
NCBI chr 4:104,353,506...104,384,321
Ensembl chr 4:104,353,508...104,384,547
G
CASP3
caspase 3
decreases cleavage
EXP
oleandrin results in decreased cleavage of CASP3 protein
CTD
PMID:28438630
NCBI chr15:45,744,320...45,753,252
Ensembl chr15:45,742,751...45,764,213
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
5052
chemical entity
5080
molecular entity
5051
polyatomic entity
5032
heteroatomic molecular entity
5001
hydroxides
4835
organic hydroxy compound
4767
hydroxy steroid
75
16-hydroxy steroid
2
16beta-hydroxy steroid
2
gitoxigenin
2
(1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol
0
Abikoviromycin
0
Awajanomycin
0
Batrachotoxinin A
0
Kobutimycin A
0
Kobutimycin B
0
LSM-1903
0
Latumcidin
0
Nocarditriene
0
digitalin
0
gitoxigenin 3-acetate
0
gitoxin +
0
oleandrigenin +
2
strospeside
0
Path 2
CHEBI ontology
5052
subatomic particle
5043
composite particle
5043
hadron
5071
baryon
5043
nucleon
5043
atomic nucleus
5043
atom
5043
main group element atom
5013
p-block element atom
5010
carbon group element atom
4927
carbon atom
4954
organic molecular entity
4926
heteroorganic entity
4768
organochalcogen compound
4730
organooxygen compound
4692
ester
533
carboxylic ester
496
lactone
373
steroid lactone
2
cardanolide
2
5beta-cardanolide
2
gitoxigenin
2
(1R,5R,6S,11S,12R,14R)-22-[(1S)-1-Hydroxyethyl]-6,16-dimethyl-10,19-dioxa-16-azahexacyclo[12.5.3.15,9.01,14.02,11.06,11]tricosa-2,21-diene-9,12-diol
0
Abikoviromycin
0
Awajanomycin
0
Batrachotoxinin A
0
Kobutimycin A
0
Kobutimycin B
0
LSM-1903
0
Latumcidin
0
Nocarditriene
0
digitalin
0
gitoxigenin 3-acetate
0
gitoxin +
0
oleandrigenin +
2
strospeside
0