Summary

IMPPAT Phytochemical identifier: IMPHY001176

Phytochemical name: Narcissidine

Synonymous chemical names:
narcissidine

External chemical identifiers:
CID:443686, ChEMBL:CHEMBL4552547, ChEBI:31896, ZINC:ZINC000030727846

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Chemical structure information

SMILES:
CO[C@H]1[C@H](O)C2=CCN3[C@H]2[C@@H]([C@@H]1O)c1cc(OC)c(cc1C3)OC

InChI:
InChI=1S/C18H23NO5/c1-22-12-6-9-8-19-5-4-10-15(19)14(11(9)7-13(12)23-2)17(21)18(24-3)16(10)20/h4,6-7,14-18,20-21H,5,8H2,1-3H3/t14-,15+,16+,17-,18-/m0/s1

InChIKey:
OHZXJDOKMFHAFO-PNKHAZJDSA-N

DeepSMILES:
CO[C@H][C@H]O)C=CCN[C@H]5[C@@H][C@@H]9O))cccOC))ccc6C%10)))OC

Functional groups:
CC=C(C)C, CN(C)C, CO, COC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCCC3c4ccccc4CN(C1)C23

Scaffold Graph/Node level:
C1CCC2C(C1)CN1CCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 1.965

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Chemical structure download