Summary
IMPPAT Phytochemical identifier: IMPHY008736
Phytochemical name: Rhazimal
Synonymous chemical names:rhazimal
External chemical identifiers:CID:101967159
Chemical structure information
SMILES:
COC(=O)[C@@]1(C=O)[C@H]2C[C@H]3C4=Nc5c([C@@]14CCN3C/C/2=CC)cccc5InChI:
InChI=1S/C21H22N2O3/c1-3-13-11-23-9-8-20-14-6-4-5-7-16(14)22-18(20)17(23)10-15(13)21(20,12-24)19(25)26-2/h3-7,12,15,17H,8-11H2,1-2H3/b13-3+/t15?,17-,20?,21+/m0/s1InChIKey:
NOKTUSVPNZHPFL-SDJMGDKMSA-NDeepSMILES:
COC=O)[C@@]C=O))[C@H]C[C@H]C=Ncc[C@@]95CCN9C/C/%13=CC))))))))cccc6Functional groups:
C/C=C(C)C, CC=O, CN(C)C, COC(C)=O, cN=C(C)C
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C=C1CN2CCC34CC1CC2C3=Nc1ccccc14Scaffold Graph/Node level:
CC1CN2CCC34CC1CC2C3NC1CCCCC14Scaffold Graph level:
CC1CC2CCC34CC1CC2C3CC1CCCCC14
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Alkaloids and derivativesClassyFire Class: Corynanthean-type alkaloids
NP Classifier Biosynthetic pathway: Alkaloids
NP Classifier Superclass: Tryptophan alkaloids
NP Classifier Class: Corynanthe type
NP-Likeness score: 2.186
Chemical structure download
