Phyto4Health

Polyveoline

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1086376
PubChem: 46871719
IUPAC: (1R,2S,10S,12S,13R,16R,18R)-1,13,17,17-tetramethyl-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7-trien-16-ol
Standard InChI: InChI=1S/C23H33NO/c1-21(2)17-9-11-23(4)18(22(17,3)12-10-19(21)25)13-16-20(23)14-7-5-6-8-15(14)24-16/h5-8,16-20,24-25H,9-13H2,1-4H3/t16-,17-,18-,19+,20-,22-,23+/m0/s1
Standard InChI Key: HVKUYPXKTAMIFI-SZKCUPFNSA-N
SMILES: O[C@@H]1CC[C@]2([C@H](C1(C)C)CC[C@@]1([C@H]2C[C@H]2[C@@H]1c1c(N2)cccc1)C)C

Molecular propeties

AlogP: 5.19
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 5
Molecular Weight: 339.26
Topological polar surface area: 32.3
Number of aromatic rings: 1
Fsp3: 0.739
Number of carbons: 23

Plant sources

Part of plant Plant name Ref.
PlantVeronica officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.