Phyto4Health

N-Acetylpolyveoline

Representations & DB's id

ChEBI: None
ChEMBL: CHEMBL1082369
PubChem: 46871720
IUPAC: 1-[(1R,2S,10S,12S,13R,16R,18R)-16-hydroxy-1,13,17,17-tetramethyl-9-azapentacyclo[10.8.0.02,10.03,8.013,18]icosa-3,5,7-trien-9-yl]ethanone
Standard InChI: InChI=1S/C25H35NO2/c1-15(27)26-17-9-7-6-8-16(17)22-18(26)14-20-24(4)13-11-21(28)23(2,3)19(24)10-12-25(20,22)5/h6-9,18-22,28H,10-14H2,1-5H3/t18-,19-,20-,21+,22-,24-,25+/m0/s1
Standard InChI Key: OGSHVAKUSGJWTH-FQBMDWTRSA-N
SMILES: CC(=O)N1[C@H]2C[C@@H]3[C@@]([C@H]2c2c1cccc2)(C)CC[C@@H]1[C@]3(C)CC[C@H](C1(C)C)O

Molecular propeties

AlogP: 5.13
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 0
Number of rings: 5
Molecular Weight: 381.27
Topological polar surface area: 40.5
Number of aromatic rings: 1
Fsp3: 0.72
Number of carbons: 25

Plant sources

Part of plant Plant name Ref.
PlantVeronica officinalis

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.