Summary

IMPPAT Phytochemical identifier: IMPHY009470

Phytochemical name: Clausenamide

Synonymous chemical names:
clausenamide

External chemical identifiers:
CID:128412, ChEMBL:CHEMBL508970, ZINC:ZINC000005967137, SureChEMBL:SCHEMBL6369855

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Chemical structure information

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

InChI:
InChI=1S/C18H19NO3/c1-19-15(16(20)13-10-6-3-7-11-13)14(17(21)18(19)22)12-8-4-2-5-9-12/h2-11,14-17,20-21H,1H3/t14-,15-,16+,17+/m0/s1

InChIKey:
WGYGSZOQGYRGIP-MWDXBVQZSA-N

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

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)C(Cc2ccccc2)N1

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)C(CC2CCCCC2)N1

Scaffold Graph level:
CC1CC(CC2CCCCC2)C(C2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyrrolidines

ClassyFire Subclass: Phenylpyrrolidines

NP Classifier Biosynthetic pathway: Alkaloids

NP-Likeness score: 1.039

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Chemical structure download