Summary
IMPPAT Phytochemical identifier: IMPHY004258
Phytochemical name: Rhynchophylline
Synonymous chemical names:rhynchophylline
External chemical identifiers:CID:5281408, ChEMBL:CHEMBL519266, ChEBI:70069, ZINC:ZINC000004097968, FDASRS:46BQ79VJ8D, SureChEMBL:SCHEMBL2047380, MolPort-003-986-874
Chemical structure information
SMILES:
CO/C=C([C@H]1C[C@@H]2N(C[C@@H]1CC)CC[C@@]12C(=O)Nc2c1cccc2)/C(=O)OCInChI:
InChI=1S/C22H28N2O4/c1-4-14-12-24-10-9-22(17-7-5-6-8-18(17)23-21(22)26)19(24)11-15(14)16(13-27-2)20(25)28-3/h5-8,13-15,19H,4,9-12H2,1-3H3,(H,23,26)/b16-13+/t14-,15-,19-,22+/m0/s1InChIKey:
DAXYUDFNWXHGBE-KAXDATADSA-NDeepSMILES:
CO/C=C[C@H]C[C@@H]NC[C@@H]6CC))))CC[C@]5C=O)Ncc5cccc6)))))))))))))))/C=O)OCFunctional groups:
CN(C)C, CO/C=C(C)C(=O)OC, cNC(C)=O
Molecular scaffolds
Scaffold Graph/Node/Bond level:
O=C1Nc2ccccc2C12CCN1CCCCC12Scaffold Graph/Node level:
OC1NC2CCCCC2C12CCN1CCCCC12Scaffold Graph level:
CC1CC2CCCCC2C12CCC1CCCCC12
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Organoheterocyclic compoundsClassyFire Class: Indolizidines
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type, Simple oxindole alkaloids
NP-Likeness score: 1.881
Chemical structure download
