Summary

IMPPAT Phytochemical identifier: IMPHY001065

Phytochemical name: Gentioflavine

Synonymous chemical names:
gentioflavine

External chemical identifiers:
CID:442536, ChEBI:5320, MolPort-044-754-134

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Chemical structure information

SMILES:
O=CC1=C2CCOC(=O)C2=CNC1C

InChI:
InChI=1S/C10H11NO3/c1-6-9(5-12)7-2-3-14-10(13)8(7)4-11-6/h4-6,11H,2-3H2,1H3

InChIKey:
GLNRAZLQBMAROT-UHFFFAOYSA-N

DeepSMILES:
O=CC=CCCOC=O)C6=CNC%10C

Functional groups:
O=CC1=C2CCOC(=O)C2=CNC1

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1OCCC2=CCNC=C12

Scaffold Graph/Node level:
OC1OCCC2CCNCC21

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Lactones

ClassyFire Subclass: Delta valerolactones

NP-Likeness score: 2.302

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Chemical structure download