Summary
IMPPAT Phytochemical identifier: IMPHY010234
Phytochemical name: (16R)-Dihydrositsirikine
Synonymous chemical names:dihydrositsirikine
External chemical identifiers:CID:5316739
Chemical structure information
SMILES:
CCC1CN2CCc3c(C2CC1C(C(=O)OC)CO)[nH]c1c3cccc1InChI:
InChI=1S/C21H28N2O3/c1-3-13-11-23-9-8-15-14-6-4-5-7-18(14)22-20(15)19(23)10-16(13)17(12-24)21(25)26-2/h4-7,13,16-17,19,22,24H,3,8-12H2,1-2H3InChIKey:
UHOKSUGCIDKRQZ-UHFFFAOYSA-NDeepSMILES:
CCCCNCCccC6CC%10CC=O)OC)))CO))))))[nH]cc5cccc6Functional groups:
CN(C)C, CO, COC(C)=O, c[nH]c
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccc2c3c([nH]c2c1)C1CCCCN1CC3Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCN2CCCCC12Scaffold Graph level:
C1CCC2C(C1)CC1C3CCCCC3CCC21
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: 1
Chemical structure download