Summary

IMPPAT Phytochemical identifier: IMPHY001068

Phytochemical name: Jasminine

Synonymous chemical names:
jasminine, jasminine(an alkaloid)

External chemical identifiers:
CID:442551, ChEBI:6083

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Chemical structure information

SMILES:
COC(=O)c1cncc2c1CC(=O)N[C@H]2C

InChI:
InChI=1S/C11H12N2O3/c1-6-8-4-12-5-9(11(15)16-2)7(8)3-10(14)13-6/h4-6H,3H2,1-2H3,(H,13,14)/t6-/m0/s1

InChIKey:
KSMITTDZTTZFML-LURJTMIESA-N

DeepSMILES:
COC=O)ccnccc6CC=O)N[C@H]6C

Functional groups:
CC(=O)NC, cC(=O)OC, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Cc2ccncc2CN1

Scaffold Graph/Node level:
OC1CC2CCNCC2CN1

Scaffold Graph level:
CC1CCC2CCCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Naphthyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 0.805

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Chemical structure download