Summary

IMPPAT Phytochemical identifier: IMPHY005642

Phytochemical name: Enicoflavine

Synonymous chemical names:
enicoflavine

External chemical identifiers:
CID:5281564, ChEBI:4794

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Chemical structure information

SMILES:
C=CC(C1(O)CCOC(=O)/C/1=C/N)C=O

InChI:
InChI=1S/C10H13NO4/c1-2-7(6-12)10(14)3-4-15-9(13)8(10)5-11/h2,5-7,14H,1,3-4,11H2/b8-5-

InChIKey:
GBJQPSBGSKNYHV-YVMONPNESA-N

DeepSMILES:
C=CCCO)CCOC=O)/C/6=C/N))))))))C=O

Functional groups:
C=CC, CC=O, CO, COC(=O)/C(C)=C/N

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C1CCCOC1=O

Scaffold Graph/Node level:
CC1CCCOC1O

Scaffold Graph level:
CC1CCCCC1C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Delta valerolactones

NP-Likeness score: 1.412

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Chemical structure download