cerberin (Q5063899)

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chemical compound
  • 3beta-O-(L-2'-O-acetylthevetosyl)-14beta-hydroxy-5beta-card-20(22)-enolide
  • 2'-Acetylneriifolin
Language Label Description Also known as
English
cerberin
chemical compound
  • 3beta-O-(L-2'-O-acetylthevetosyl)-14beta-hydroxy-5beta-card-20(22)-enolide
  • 2'-Acetylneriifolin

Statements

instance of
Q113145171 (Deleted Item)
0 references
CAS Registry Number
25633-33-4
2 references
stated in
Q902623 (Deleted Item)
ChEBI ID
75049
language of work or name
English
title
cerberin (English)
retrieved
8 October 2016
InChIKey
UYQMTWMXBKEHJQ-IVHDSYOHSA-N
stated in
Q18907859 (Deleted Item)
retrieved
8 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=25633-33-4
PubChem CID
10031063
2 references
stated in
PubChem
PubChem CID
10031063
language of work or name
English
title
Cerberin (English)
retrieved
8 October 2016
matched by identifier from
Q21445422 (Deleted Item)
InChIKey
UYQMTWMXBKEHJQ-IVHDSYOHSA-N
ChEBI ID
75049
mapping relation type
Q39893449 (Deleted Item)
2 references
stated in
Q902623 (Deleted Item)
ChEBI ID
75049
language of work or name
English
title
cerberin (English)
retrieved
8 October 2016
matched by identifier from
International Chemical Identifier
InChI
InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1
canonical SMILES
CC1C(C(C(C(O1)OC2CCC3(C(C2)CCC4C3CCC5(C4(CCC5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O
1 reference
stated in
PubChem
PubChem CID
10031063
language of work or name
English
title
Cerberin (English)
retrieved
8 October 2016
InChI
InChI=1S/C32H48O9/c1-17-26(35)27(37-5)28(40-18(2)33)29(39-17)41-21-8-11-30(3)20(15-21)6-7-24-23(30)9-12-31(4)22(10-13-32(24,31)36)19-14-25(34)38-16-19/h14,17,20-24,26-29,35-36H,6-13,15-16H2,1-5H3/t17-,20+,21-,22+,23-,24+,26-,27+,28-,29-,30-,31+,32-/m0/s1
1 reference
stated in
PubChem
PubChem CID
10031063
language of work or name
English
title
Cerberin (English)
retrieved
8 October 2016
InChIKey
UYQMTWMXBKEHJQ-IVHDSYOHSA-N
2 references
stated in
PubChem
PubChem CID
10031063
language of work or name
English
title
Cerberin (English)
retrieved
8 October 2016
stated in
Q98915402 (Deleted Item)
chemical formula
C₃₂H₄₈O₉
1 reference
stated in
PubChem
PubChem CID
10031063
language of work or name
English
title
Cerberin (English)
retrieved
8 October 2016
ChemSpider ID
8206634
1 reference
stated in
Q2311683 (Deleted Item)
ChemSpider ID
8206634
language of work or name
English
title
cerberin (English)
retrieved
8 October 2016
isomeric SMILES
C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)O[C@H]2CC[C@]3([C@@H](C2)CC[C@@H]4[C@@H]3CC[C@]5([C@@]4(CC[C@@H]5C6=CC(=O)OC6)O)C)C)OC(=O)C)OC)O
1 reference
stated in
PubChem
PubChem CID
10031063
language of work or name
English
title
Cerberin (English)
retrieved
8 October 2016
ChEMBL ID
CHEMBL554969
1 reference
stated in
Q6120337 (Deleted Item)
ChEMBL ID
CHEMBL554969
language of work or name
English
title
CHEMBL554969 (English)
retrieved
8 October 2016
KEGG ID
C19984
1 reference
stated in
Q902623 (Deleted Item)
ChEBI ID
75049
language of work or name
English
title
cerberin (English)
retrieved
8 October 2016
mass
576.33 http://www.wikidata.org/entity/Q483261
1 reference
stated in
PubChem
PubChem CID
10031063
language of work or name
English
title
Cerberin (English)
retrieved
8 October 2016
UNII
KW5A155S64
2 references
stated in
Q116031405 (Deleted Item)
UNII
KW5A155S64
language of work or name
English
title
CERBERIN (English)
retrieved
8 October 2016
matched by identifier from
Q21445422 (Deleted Item)
InChIKey
UYQMTWMXBKEHJQ-IVHDSYOHSA-N
Reaxys registry number
101650
1 reference
stated in
Q902623 (Deleted Item)
ChEBI ID
75049
language of work or name
English
title
cerberin (English)
retrieved
8 October 2016
DSSTox substance ID
DTXSID30893922
0 references
Microsoft Academic ID
2779685324
0 references
DSSTOX compound identifier
DTXCID301323961
0 references
Freebase ID
/m/0ndhjj8
0 references
found in taxon
Cerbera odollam
1 reference
stated in
Q40593605 (Deleted Item)
Cerbera manghas
1 reference
stated in
Q34340244 (Deleted Item)
Thevetia ahouai
1 reference
stated in
Q104919726 (Deleted Item)
Thevetia
1 reference
stated in
Q105281837 (Deleted Item)
P11199 (Deleted Property)
PD163680 Property P11199 not found, cannot determine the data type to use.
0 references
subclass of
Q108650539 (Deleted Item)
0 references
UniChem compound ID
258445
1 reference
stated in
Q24170711 (Deleted Item)
stereoisomer of
Q105281846 (Deleted Item)
2 references
based on heuristic
Q113993940 (Deleted Item)
based on heuristic
Q123137214 (Deleted Item)
Q105281842 (Deleted Item)
2 references
based on heuristic
Q113993940 (Deleted Item)
based on heuristic
Q123137214 (Deleted Item)
Q76084918 (Deleted Item)
2 references
based on heuristic
Q113993940 (Deleted Item)
based on heuristic
Q123137214 (Deleted Item)
Q105281834 (Deleted Item)
1 reference
based on heuristic
Q123137214 (Deleted Item)
Q105281845 (Deleted Item)
1 reference
based on heuristic
Q123137214 (Deleted Item)
 
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