tagitinin A (Q27088925)

tagitinin A (English)

[(1S,2S,4R,8S,9R,11S,12S)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

3 October 2016

stereoisomer of

1 reference

based on heuristic

inferred from InChI

[(1R,2S,4R,8R,9R,11R,12R)-1,12-dihydroxy-2,11-dimethyl-7-methylidene-6-oxo-5,14-dioxatricyclo[9.2.1.04,8]tetradecan-9-yl] 2-methylpropanoate

1 reference

based on heuristic

inferred from InChI

chemical formula

C₁?H₂?O?

1 reference

tagitinin A (English)

3 October 2016

canonical SMILES

CC1CC2C(C(CC3(C(CC1(O3)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2

1 reference

tagitinin A (English)

3 October 2016

isomeric SMILES

C[C@H]1C[C@@H]2[C@@H]([C@@H](C[C@@]3([C@H](C[C@]1(O3)O)O)C)OC(=O)C(C)C)C(=C)C(=O)O2

1 reference

Sesquiterpene lactones from Helianthus niveus subsp. niveus

tagitinin A (English)

3 October 2016

2 references

Chemosystematic Investigation of the Annual Species of Helianthus (Asteraceae)

Tithonia diversifolia

2 references

Sesquiterpenoids and flavonoids from the aerial parts of Tithonia diversifolia and their cytotoxic activity

Germination and growth inhibitory sesquiterpene lactones and a flavone from Tithonia diversifolia

Blumea densiflora

1 reference

Isoalantolactone derivatives and germacranolides from Blumea densiflora

Identifiers

InChI

InChI=1S/C19H28O7/c1-9(2)16(21)25-13-7-18(5)14(20)8-19(23,26-18)10(3)6-12-15(13)11(4)17(22)24-12/h9-10,12-15,20,23H,4,6-8H2,1-3,5H3/t10-,12+,13+,14-,15-,18+,19+/m0/s1

1 reference

tagitinin A (English)

HREHFPZHVCNOMQ-XNNFIIJVSA-N

3 October 2016

InChIKey

1 reference

tagitinin A (English)

3 October 2016

0 references

1 reference

(1R,2S,4R,8S,9R,11R,12S)-1,12-Dihydroxy-2,11-dimethyl-7-methylene-6-oxo-5,14-dioxatricyclo[9.2.1.0~4,8~]tetradec-9-yl 2-methylpropanoate (English)

3 October 2016

2 references

tagitinin A (English)

matched by identifier from

3 October 2016

InChIKey

HREHFPZHVCNOMQ-XNNFIIJVSA-N

1 reference

matched by identifier from

TAGITININ A (English)

3 October 2016

1 reference

1 reference

InChIKey

HREHFPZHVCNOMQ-XNNFIIJVSA-N

DSSTOX compound identifier

DTXCID901402806

0 references

Guide to Pharmacology Ligand ID

8701

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

8701

tagitinin A (English)