Summary

IMPPAT Phytochemical identifier: IMPHY012446

Phytochemical name: (+)-Oxoturkiyenine

Synonymous chemical names:
(+)-oxoturkiyenine

External chemical identifiers:
CID:189308

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Chemical structure information

SMILES:
CN1C=Cc2c(C(=O)C31C(=O)Oc1c3ccc3c1OCO3)cc1c(c2)OCO1

InChI:
InChI=1S/C20H13NO7/c1-21-5-4-10-6-14-15(26-8-25-14)7-11(10)18(22)20(21)12-2-3-13-17(27-9-24-13)16(12)28-19(20)23/h2-7H,8-9H2,1H3

InChIKey:
ODZKWJNWPLUOKP-UHFFFAOYSA-N

DeepSMILES:
CNC=CccC=O)C7C=O)Occ5cccc6OCO5)))))))))))))cccc6)OCO5

Functional groups:
c1cOCO1, cC(C)=O, cC=CN(C)C, cOC(C)=O

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1Oc2c(ccc3c2OCO3)C12NC=Cc1cc3c(cc1C2=O)OCO3

Scaffold Graph/Node level:
OC1OC2C3OCOC3CCC2C12NCCC1CC3OCOC3CC1C2O

Scaffold Graph level:
CC1CC2C3CCCC3CCC2C12CCCC1CC3CCCC3CC1C2C

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzazepines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Isoquinoline alkaloids

NP-Likeness score: 0.909

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Chemical structure download