Summary

IMPPAT Phytochemical identifier: IMPHY012554

Phytochemical name: Evoxanthidine

Synonymous chemical names:
evoxanthidine

External chemical identifiers:
CID:442899, ChEBI:4951

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Chemical structure information

SMILES:
COc1c2OCOc2cc2c1c(=O)c1c([nH]2)cccc1

InChI:
InChI=1S/C15H11NO4/c1-18-15-12-10(6-11-14(15)20-7-19-11)16-9-5-3-2-4-8(9)13(12)17/h2-6H,7H2,1H3,(H,16,17)

InChIKey:
HHCAZEOWGVDROC-UHFFFAOYSA-N

DeepSMILES:
COccOCOc5ccc9c=O)cc[nH]6)cccc6

Functional groups:
c1cOCO1, c=O, cOC, c[nH]c

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c2ccccc2[nH]c2cc3c(cc12)OCO3

Scaffold Graph/Node level:
OC1C2CCCCC2NC2CC3OCOC3CC21

Scaffold Graph level:
CC1C2CCCCC2CC2CC3CCCC3CC21

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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: 0.89

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Chemical structure download