Summary

IMPPAT Phytochemical identifier: IMPHY010681

Phytochemical name: (1S,3R,4S,7R)-5-methyl-3,7-diphenyl-2-oxa-5-azabicyclo[2.2.1]heptan-6-one

Synonymous chemical names:
cycloclausenamide

External chemical identifiers:
CID:13592842, ZINC:ZINC000013414899

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Chemical structure information

SMILES:
O=C1N(C)[C@H]2[C@H]([C@@H]1O[C@@H]2c1ccccc1)c1ccccc1

InChI:
InChI=1S/C18H17NO2/c1-19-15-14(12-8-4-2-5-9-12)17(18(19)20)21-16(15)13-10-6-3-7-11-13/h2-11,14-17H,1H3/t14-,15+,16-,17+/m1/s1

InChIKey:
QVGJMLNUOQHRAS-TWMKSMIVSA-N

DeepSMILES:
O=CNC)[C@H][C@H][C@@H]5O[C@@H]5cccccc6)))))))))cccccc6

Functional groups:
CN(C)C(C)=O, COC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1NC2C(c3ccccc3)OC1C2c1ccccc1

Scaffold Graph/Node level:
OC1NC2C(C3CCCCC3)OC1C2C1CCCCC1

Scaffold Graph level:
CC1CC2C(C3CCCCC3)CC1C2C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Oxazinanes

ClassyFire Subclass: Morpholines

NP Classifier Biosynthetic pathway: Alkaloids, Shikimates and Phenylpropanoids

NP-Likeness score: 1.004

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Chemical structure download