Summary

IMPPAT Phytochemical identifier: IMPHY012783

Phytochemical name: N-Desmethoxyrankinidine

Synonymous chemical names:
n-desmethoxyrankinidine

External chemical identifiers:
CID:5316594

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Chemical structure information

SMILES:
C/C=C/1CNC2C3C1CC(OC3)C1(C2)C(=O)Nc2c1cccc2

InChI:
InChI=1S/C19H22N2O2/c1-2-11-9-20-16-8-19(17-7-12(11)13(16)10-23-17)14-5-3-4-6-15(14)21-18(19)22/h2-6,12-13,16-17,20H,7-10H2,1H3,(H,21,22)/b11-2+

InChIKey:
YIOBXNAEUXWNQS-BIIKFXOESA-N

DeepSMILES:
C/C=CCNCCC6CCOC6))CC7)C=O)Ncc5cccc6

Functional groups:
C/C=C(/C)C, CNC, COC, cNC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CNC2CC3(C(=O)Nc4ccccc43)C3CC1C2CO3

Scaffold Graph/Node level:
CC1CNC2CC3(C(O)NC4CCCCC43)C3CC1C2CO3

Scaffold Graph level:
CC1CCC2CC3(C(C)CC4CCCCC43)C3CCC2C1C3

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Gelsemium alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Corynanthe type

NP-Likeness score: 2.461

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Chemical structure download