Summary
IMPPAT Phytochemical identifier: IMPHY006848
Phytochemical name: Palmirine
Synonymous chemical names:palmirine
Chemical structure information
SMILES:COc1ccc2c(c1)[C@]1(CCN3[C@H]1C[C@H]1[C@@H](C3)[C@H](C)OC=C1C(=O)OC)C(=O)N2InChI:InChI=1S/C22H26N2O5/c1-12-15-10-24-7-6-22(17-8-13(27-2)4-5-18(17)23-21(22)26)19(24)9-14(15)16(11-29-12)20(25)28-3/h4-5,8,11-12,14-15,19H,6-7,9-10H2,1-3H3,(H,23,26)/t12-,14-,15-,19-,22-/m0/s1InChIKey:HSEWZVYXOFZIMV-IHGKUHQXSA-N
DeepSMILES:COcccccc6)[C@]CCN[C@H]5C[C@H][C@@H]C6)[C@H]C)OC=C6C=O)OC))))))))))))))C=O)N5
Functional groups:CN(C)C, COC(=O)C(C)=COC, cNC(C)=O, cOC
Molecular scaffolds
Scaffold Graph/Node/Bond level:O=C1Nc2ccccc2C12CCN1CC3COC=CC3CC12
Scaffold Graph/Node level:OC1NC2CCCCC2C12CCN1CC3COCCC3CC12
Scaffold Graph level:CC1CC2CCCCC2C12CCC1CC3CCCCC3CC12
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Indolizidines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type
NP-Likeness score: 1.714
Chemical structure download