Summary

IMPPAT Phytochemical identifier: IMPHY000425

Phytochemical name: 3-Oxorhazinilam

Synonymous chemical names:
3-oxorhazinilam

External chemical identifiers:
CID:101094502

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Chemical structure information

SMILES:
CC[C@@]12CCC(=O)Nc3c(-c4c2n(C(=O)CC1)cc4)cccc3

InChI:
InChI=1S/C19H20N2O2/c1-2-19-10-7-16(22)20-15-6-4-3-5-13(15)14-9-12-21(18(14)19)17(23)8-11-19/h3-6,9,12H,2,7-8,10-11H2,1H3,(H,20,22)/t19-/m1/s1

InChIKey:
TXWKUWXSHGUINF-LJQANCHMSA-N

DeepSMILES:
CC[C@]CCC=O)Ncc-cc9nC=O)CC%13)))cc5)))))cccc6

Functional groups:
cNC(C)=O, cn(c)C(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CCC2CCC(=O)n3ccc(c32)-c2ccccc2N1

Scaffold Graph/Node level:
OC1CCC2CCC(O)N3CCC(C4CCCCC4N1)C23

Scaffold Graph level:
CC1CCC2CCC(C)C3CCC(C4CCCCC4C1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 0.668

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Chemical structure download