Summary

IMPPAT Phytochemical identifier: IMPHY014104

Phytochemical name: 4(3H)-Quinazolinone, 7-hydroxy-3-(2-hydroxyethyl)-

Synonymous chemical names:
7-hydroxyechinozolinone

External chemical identifiers:
CID:5491578

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Chemical structure information

SMILES:
OCCn1cnc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C10H10N2O3/c13-4-3-12-6-11-9-5-7(14)1-2-8(9)10(12)15/h1-2,5-6,13-14H,3-4H2

InChIKey:
OTAAVXRYMFBGJJ-UHFFFAOYSA-N

DeepSMILES:
OCCncnccc6=O))cccc6)O

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1[nH]cnc2ccccc12

Scaffold Graph/Node level:
OC1NCNC2CCCCC12

Scaffold Graph level:
CC1CCCC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Diazanaphthalenes

ClassyFire Subclass: Benzodiazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Quinazoline alkaloids

NP-Likeness score: -0.497

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Chemical structure download