Summary

IMPPAT Phytochemical identifier: IMPHY006871

Phytochemical name: Furo(2,3-b)quinolinium, 2,3-dihydro-6-hydroxy-2-(1-hydroxy-1-methylethyl)-4-methoxy-9-methyl-, (R)-

Synonymous chemical names:
ribalinium

External chemical identifiers:
CID:442931, ChEBI:8839

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Chemical structure information

SMILES:
COc1c2C[C@@H](Oc2[n+](c2c1cc(O)cc2)C)C(O)(C)C

InChI:
InChI=1S/C16H19NO4/c1-16(2,19)13-8-11-14(20-4)10-7-9(18)5-6-12(10)17(3)15(11)21-13/h5-7,13,19H,8H2,1-4H3/p+1/t13-/m1/s1

InChIKey:
RUZDYQSFFIVRRP-CYBMUJFWSA-O

DeepSMILES:
COccC[C@@H]Oc5[n+]cc9ccO)cc6))))))C))))CO)C)C

Functional groups:
CO, cO, cOC, c[n+](c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2[nH+]c3c(cc2c1)CCO3

Scaffold Graph/Node level:
C1CCC2NC3OCCC3CC2C1

Scaffold Graph level:
C1CCC2CC3CCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Dihydrofuranoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 2.454

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Chemical structure download