Summary

IMPPAT Phytochemical identifier: IMPHY013896

Phytochemical name: 8-Deoxyserratinine

Synonymous chemical names:
8-deoxyserratinine

External chemical identifiers:
CID:176981

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Chemical structure information

SMILES:
C[C@H]1CC(O)[C@]23[C@@H](C1)CC(=O)C13CCCN1CCC2

InChI:
InChI=1S/C16H25NO2/c1-11-8-12-10-14(19)16-5-3-7-17(16)6-2-4-15(12,16)13(18)9-11/h11-13,18H,2-10H2,1H3/t11-,12+,13?,15-,16?/m1/s1

InChIKey:
CXCPHPDVYZHVON-PRAKJRAUSA-N

DeepSMILES:
C[C@H]CCO)[C@@][C@@H]C6)CC=O)C5CCCN5CCC%12

Functional groups:
CC(C)=O, CN(C)C, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC2CCCCC23CCCN2CCCC123

Scaffold Graph/Node level:
OC1CC2CCCCC23CCCN2CCCC123

Scaffold Graph level:
CC1CC2CCCCC23CCCC2CCCC123

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Azaspirodecane derivatives

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 2.494

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Chemical structure download