IMPPAT Phytochemical information:
Pallidinine
Summary
IMPPAT Phytochemical identifier: IMPHY009303
Phytochemical name: Pallidinine
Synonymous chemical names:pallidinine
External chemical identifiers:CID:24943418
Chemical structure information
SMILES:
COC1=C[C@@]23CCN([C@@H]([C@@H]2CC1=O)Cc1c3cc(OC)c(c1)O)CInChI:
InChI=1S/C19H23NO4/c1-20-5-4-19-10-18(24-3)16(22)8-13(19)14(20)6-11-7-15(21)17(23-2)9-12(11)19/h7,9-10,13-14,21H,4-6,8H2,1-3H3/t13-,14+,19+/m0/s1InChIKey:
IXNZNQMODAROFN-IQUTYRLHSA-NDeepSMILES:
COC=C[C@@]CCN[C@@H][C@@H]6CC%10=O))))Ccc8ccOC))cc6)O))))))))CFunctional groups:
CN(C)C, COC(=CC)C(C)=O, cO, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1C=CC23CCNC(Cc4ccccc42)C3C1Scaffold Graph/Node level:
OC1CCC23CCNC(CC4CCCCC42)C3C1Scaffold Graph level:
CC1CCC23CCCC(CC4CCCCC42)C3C1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Morphinans
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tyrosine alkaloids
NP Classifier Class: Morphinan alkaloids
NP-Likeness score: 2.242
Chemical structure download