Summary

IMPPAT Phytochemical identifier: IMPHY005535

Phytochemical name: Rutacridone

Synonymous chemical names:
rutacridone

External chemical identifiers:
CID:5281849, ChEMBL:CHEMBL2003193, ChEBI:8917, FDASRS:BLJ6T7UY0D

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Chemical structure information

SMILES:
CC(=C)C1Oc2c(C1)c1c(c(c2)O)c(=O)c2c(n1C)cccc2

InChI:
InChI=1S/C19H17NO3/c1-10(2)15-8-12-16(23-15)9-14(21)17-18(12)20(3)13-7-5-4-6-11(13)19(17)22/h4-7,9,15,21H,1,8H2,2-3H3

InChIKey:
FHAGACMCMQYSNX-UHFFFAOYSA-N

DeepSMILES:
CC=C)COccC5)cccc6)O))c=O)ccn6C))cccc6

Functional groups:
C=C(C)C, c=O, cO, cOC, cn(c)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2c3c(ccc12)OCC3

Scaffold Graph/Node level:
OC1C2CCCCC2NC2C3CCOC3CCC12

Scaffold Graph level:
CC1C2CCCCC2CC2C3CCCC3CCC12

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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: Anthranilic acid alkaloids

NP Classifier Class: Acridone alkaloids

NP-Likeness score: 1.601

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Chemical structure download