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(Q83075360)
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Neridienone A
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
17-Acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from SMILES
mass
326.188194692
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
(8S,9R,10R,12R,13S,14R)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-one
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₁H₂₆O₃
0 references
canonical SMILES
O=C1C=C2C=CC3C4CC=C(C(=O)C)C4(C)C(O)CC3C2(C)CC1
0 references
isomeric SMILES
CC(=O)C1=CC[C@@H]2[C@@]1([C@@H](C[C@H]3[C@H]2C=CC4=CC(=O)CC[C@]34C)O)C
0 references
found in taxon
Adenium obesum
1 reference
stated in
Cardiac glycosides and pregnanes from Adenium obesum (studies on the constituents of Adenium. I)
Apocynum cannabinum
2 references
stated in
Cardenolide Glycosides from the Roots of Apocynum cannabinum.
stated in
Pregnanes and pregnane glycosides from the roots of Apocynum venetum var. basikurumon (Apocynum. I).
Apocynum venetum
1 reference
stated in
Pregnanes and pregnane glycosides from the roots of Apocynum venetum var. basikurumon (Apocynum. I).
Periploca sepium
2 references
stated in
Studies on chemical constituents of antitumor fraction from Periploca sepium BGE. I.
stated in
Studies on chemical constituents of antitumor fraction from Periploca sepium BGE. I.
Anodendron affine
1 reference
stated in
Pregnanes of Anodendron affine
Nerium indicum
1 reference
stated in
Presence of cardenolides and ursolic acid from oleander leaves in larvae and frass of Daphnis nerii
Nerium oleander
2 references
stated in
Presence of cardenolides and ursolic acid from oleander leaves in larvae and frass of Daphnis nerii
stated in
Triterpenoids from the leaves of Nerium oleander
Identifiers
InChI
InChI=1S/C21H26O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)18(15)11-19(24)21(16,17)3/h4-6,10,15,17-19,24H,7-9,11H2,1-3H3/t15-,17-,18-,19+,20-,21+/m0/s1
0 references
InChIKey
UYGZZVKOVWATFR-GGLFOPPFSA-N
0 references
CAS Registry Number
53823-05-5
0 references
PubChem CID
100630
1 reference
matched by identifier from
InChIKey
InChIKey
UYGZZVKOVWATFR-GGLFOPPFSA-N
SureChEMBL ID
SCHEMBL13833038
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
UYGZZVKOVWATFR-GGLFOPPFSA-N
UniChem compound ID
159099
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80202106
1 reference
matched by identifier from
InChIKey
InChIKey
UYGZZVKOVWATFR-GGLFOPPFSA-N
DSSTOX compound identifier
DTXCID40124597
0 references
NSC number
334384
0 references
LIPID MAPS ID
LMST02030260
1 reference
stated in
LIPID MAPS
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
retrieved
31 December 2022
InChIKey
UYGZZVKOVWATFR-GGLFOPPFSA-N
based on heuristic
InChIKey match
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