Summary

IMPPAT Phytochemical identifier: IMPHY006794

Phytochemical name: (R)-(-)-Littorine

Synonymous chemical names:
littorine

External chemical identifiers:
CID:12311316

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Chemical structure information

SMILES:
O[C@@H](C(=O)OC1C[C@@H]2CC[C@H](C1)N2C)Cc1ccccc1

InChI:
InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1

InChIKey:
FNRXUEYLFZLOEZ-VFSICIBPSA-N

DeepSMILES:
O[C@@H]C=O)OCC[C@@H]CC[C@H]C7)N5C))))))))))Ccccccc6

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C(CCc1ccccc1)OC1CC2CCC(C1)N2

Scaffold Graph/Node level:
OC(CCC1CCCCC1)OC1CC2CCC(C1)N2

Scaffold Graph level:
CC(CCC1CCCCC1)CC1CC2CCC(C2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Tropane alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Ornithine alkaloids

NP Classifier Class: Tropane alkaloids

NP-Likeness score: 0.872

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Chemical structure download