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Deoxyandrographolide
No description defined
14-Deoxyandrographolide
AD 04130-4
3-[2-[(1R,4aS,5R,6R,8aS)-Decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-2(5H)-furanone
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Statements
instance of
type of chemical entity
0 references
subclass of
2(5H)-Furanone, 3-[2-[decahydro-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylene-1-naphthalenyl]ethyl]-
1 reference
based on heuristic
inferred from SMILES
mass
334.21440944
dalton
1 reference
based on heuristic
inferred from SMILES
stereoisomer of
11-Deoxyandrographolide
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
4-[2-[(1S,4aR,5S,6S,8aR)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
4-[2-[(1S,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethyl]-2H-furan-5-one
2 references
based on heuristic
inferred from InChIKey
based on heuristic
inferred from InChI
(9R,10S)-3alpha,15,18-Trihydroxylabda-8(20),13-dien-16-oic acid 16,15-lactone
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₀H₃₀O₄
0 references
canonical SMILES
O=C1OCC=C1CCC2C(=C)CCC3C(C)(CO)C(O)CCC23C
0 references
isomeric SMILES
C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2CCC3=CCOC3=O)(C)CO)O
0 references
found in taxon
Andrographis paniculata
14 references
stated in
Flavonoids and ent-labdane diterpenoids from Andrographis paniculata and their antiplatelet aggregatory and vasorelaxing effects
stated in
ent-Labdane diterpenoid lactone stereoisomers from Andrographis paniculata
stated in
Andropanolide and isoandrographolide, minor diterpenoids from Andrographis paniculata: structure and X-ray crystallographic analysis
stated in
Anticancer and immunostimulatory compounds from Andrographis paniculata
stated in
A conformational study of diterpenoid lactones isolated from the chinese medicinal herb andrographis paniculata
stated in
On the diterpenoids of Andrographis paniculata: X-ray crystallographic analysis of andrographolide and structure determination of new minor diterpenoids.
stated in
Cell differentiation-inducing diterpenes from Andrographis paniculata Nees
stated in
Antidiarrhoeal Activity of Diterpenes of Andrographis paniculata (Kal-Megh) against Escherichia coli Enterotoxin in in vivo Models
stated in
ent-Labdane diterpenoids from Andrographis paniculata
stated in
ChemInform Abstract: Chemical Constituents Isolated from Andrographis paniculata
stated in
Cell differentiation-inducing diterpenes from Andrographis paniculata Nees
stated in
A conformational study of diterpenoid lactones isolated from the chinese medicinal herb andrographis paniculata
stated in
Flavonoids and andrographolides from Andrographis paniculata
stated in
ent-Labdane diterpenoids from Andrographis paniculata
Taiwanofungus camphoratus
1 reference
stated in
Minor diterpenoid constituents of Andrographis paniculata Nees
Identifiers
InChI
InChI=1S/C20H30O4/c1-13-4-7-16-19(2,10-8-17(22)20(16,3)12-21)15(13)6-5-14-9-11-24-18(14)23/h9,15-17,21-22H,1,4-8,10-12H2,2-3H3/t15-,16+,17-,19+,20+/m1/s1
0 references
InChIKey
GVRNTWSGBWPJGS-YSDSKTICSA-N
0 references
CAS Registry Number
4176-97-0
1 reference
stated in
CAS Common Chemistry
retrieved
7 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=4176-97-0
InChIKey
GVRNTWSGBWPJGS-YSDSKTICSA-N
PubChem CID
11624161
0 references
UniChem compound ID
536944
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80904638
0 references
DSSTOX compound identifier
DTXCID201333757
0 references
Natural Product Atlas ID
NPA018988
1 reference
based on heuristic
inferred from InChIKey
Probes And Drugs ID
PD125239
0 references
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