HIERACIN I

Structure

2D structure of HIERACIN I
2D structure
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3D model

Drawn and modelled with RDKit, 3D viewer 3Dmol.js. PubChem CID 14163577

Names and identifiers

Name

HIERACIN I

IUPAC name

(3S,3aS,6S,6aR,9aR,9bS)-6-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione

SMILES

C1=C([C@H]2[C@@H](C1=O)[C@@](CC[C@@H]1[C@@H]2OC(=O)[C@H]1C)(C)O)CO

General information

Molecular formula

C15H20O5

Molecular weight

280.32 g/mol

Monoisotopic mass

280.1311 Da

Classification

Pathway:
Superclass:
Class:
Glycoside:
No

Chemical classification: NPClassifier (Kim et al., 2021)

Plants with the compound

Plant Plant part Amount Reference
Helminthotheca echioides (L.) Holub aerial parts -
Marco, J.A., Sanz, J.F., Carda, M. (1992). Sesquiterpene lactones from Picris echioides. Phytochemistry, 31(6), 2163-2169 doi:10.1016/0031-9422(92)80390-z
Picris hieracioides L. subsp. hieracioides flower -
Kanayama, T., Tada, M. (1988). Sesquiterpene lactone from flowers of Picris hieracioides L. Bull Chem Soc Japan, 61(8), 2971-2972 doi:10.1246/bcsj.61.2971
Pilosella officinarum F.W.Schultz & Sch.Bip. flower -
Shelyuto, V.L., Glyzin, V.I., Kruglova, E.P., Smirnova, L.P. (1977). Flavonoids from hieracium Pilosella. Chem Nat Comp, 13(6), 727-728 doi:10.1007/bf00565536