Phyto4Health

Heliangin

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL463123
PubChem: 12310409
IUPAC: [(1R,2R,4S,6R,8S,9Z,11S)-8-hydroxy-4,9-dimethyl-14-methylidene-13-oxo-5,12-dioxatricyclo[9.3.0.04,6]tetradec-9-en-2-yl] (E)-2-methylbut-2-enoate
Standard InChI: InChI=1S/C20H26O6/c1-6-10(2)18(22)25-15-9-20(5)16(26-20)8-13(21)11(3)7-14-17(15)12(4)19(23)24-14/h6-7,13-17,21H,4,8-9H2,1-3,5H3/b10-6+,11-7-/t13-,14-,15+,16+,17-,20-/m0/s1
Standard InChI Key: DZTWAOVNNLDWNH-KNJKHLQXSA-N
SMILES: C/C=C(/C(=O)O[C@@H]1C[C@]2(C)O[C@@H]2C[C@@H](/C(=C[C@H]2[C@@H]1C(=C)C(=O)O2)/C)O)C

Molecular propeties

AlogP: 2.22
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 1
Rotatable bonds: 2
Number of rings: 3
Molecular Weight: 362.17
Topological polar surface area: 85.4
Number of aromatic rings: 0
Fsp3: 0.6
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PlantHelianthus annuus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.