Phyto4Health

Corynanrheidine

Representations & DB's id

ChEBI: CHEBI:70073
ChEMBL: CHEMBL60533
PubChem: 3000341
IUPAC: methyl (E)-2-[(2S,3S,12bS)-3-ethyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-2-yl]-3-methoxyprop-2-enoate
Standard InChI: InChI=1S/C22H28N2O3/c1-4-14-12-24-10-9-16-15-7-5-6-8-19(15)23-21(16)20(24)11-17(14)18(13-26-2)22(25)27-3/h5-8,13-14,17,20,23H,4,9-12H2,1-3H3/b18-13+/t14-,17+,20+/m1/s1
Standard InChI Key: NMLUOJBSAYAYEM-QALMDFCDSA-N
SMILES: CO/C=C([C@H]1C[C@@H]2N(C[C@H]1CC)CCc1c2[nH]c2c1cccc2)/C(=O)OC

Molecular propeties

AlogP: 3.82
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 1
Rotatable bonds: 4
Number of rings: 4
Molecular Weight: 368.21
Topological polar surface area: 54.6
Number of aromatic rings: 2
Fsp3: 0.5
Number of carbons: 22

Plant sources

Part of plant Plant name Ref.
PlantRosa gallica

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.