Summary

IMPPAT Phytochemical identifier: IMPHY004656

Phytochemical name: 2-Amino-7-methoxyphenoxazin-3-one

Synonymous chemical names:
2-amino-7-methoxy-phenoxazin-3-one

External chemical identifiers:
CID:5251220, SureChEMBL:SCHEMBL3764052

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Chemical structure information

SMILES:
COc1ccc2c(c1)oc1-c(n2)cc(c(=O)c1)N

InChI:
InChI=1S/C13H10N2O3/c1-17-7-2-3-9-12(4-7)18-13-6-11(16)8(14)5-10(13)15-9/h2-6H,14H2,1H3

InChIKey:
DDHPPCVMQOXUFB-UHFFFAOYSA-N

DeepSMILES:
COcccccc6)oc-cn6)ccc=O)c6))N

Functional groups:
c=O, cN, cOC, cnc, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1ccc2nc3ccccc3oc-2c1

Scaffold Graph/Node level:
OC1CCC2NC3CCCCC3OC2C1

Scaffold Graph level:
CC1CCC2CC3CCCCC3CC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzoxazines

ClassyFire Subclass: Phenoxazines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Anthranilic acid alkaloids

NP Classifier Class: Phenoxazine alkaloids

NP-Likeness score: -0.284

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Chemical structure download