andrographic acid (Q27291861)

UNII-VJY4586I3K (English)

(Z)-2-[(E)-2-[(1R,4aS,5R,6R,8aS)-6-hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]ethenyl]but-2-enedioic acid

14 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₀H₂₈O₆

1 reference

UNII-VJY4586I3K (English)

14 October 2016

canonical SMILES

CC12CCC(C(C1CCC(=C)C2C=CC(=CC(=O)O)C(=O)O)(C)CO)O

1 reference

UNII-VJY4586I3K (English)

14 October 2016

isomeric SMILES

C[C@@]12CC[C@H]([C@@]([C@H]1CCC(=C)[C@H]2/C=C/C(=C/C(=O)O)/C(=O)O)(C)CO)O

1 reference

UNII-VJY4586I3K (English)

Secondary metabolites from Andrographis paniculata

14 October 2016

found in taxon

Andrographis paniculata

1 reference

stated in

Identifiers

InChI

InChI=1S/C20H28O6/c1-12-4-7-15-19(2,9-8-16(22)20(15,3)11-21)14(12)6-5-13(18(25)26)10-17(23)24/h5-6,10,14-16,21-22H,1,4,7-9,11H2,2-3H3,(H,23,24)(H,25,26)/b6-5+,13-10-/t14-,15+,16-,19+,20+/m1/s1

1 reference

UNII-VJY4586I3K (English)

IMDVHFGRDJPERC-YJCGLWNISA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

UNII-VJY4586I3K (English)

14 October 2016

1 reference

UNII

VJY4586I3K

andrographic acid (English)

14 October 2016

1 reference

(2Z)-2-{(E)-2-[(1R,4aS,5R,6R,8aR)-6-Hydroxy-5-(hydroxymethyl)-5,8a-dimethyl-2-methylenedecahydro-1-naphthalenyl]vinyl}-2-butenedioic acid (English)

14 October 2016

2 references

UNII-VJY4586I3K (English)

matched by identifier from

14 October 2016

InChIKey

IMDVHFGRDJPERC-YJCGLWNISA-N

1 reference

2 references

Global Substance Registration System

UNII

VJY4586I3K

andrographic acid (English)