Summary

IMPPAT Phytochemical identifier: IMPHY008717

Phytochemical name: Lycoramine

Synonymous chemical names:
lycoramine

External chemical identifiers:
CID:443723, ChEMBL:CHEMBL469638, ChEBI:31789, ZINC:ZINC000004102421, FDASRS:TAG8LU84K2, SureChEMBL:SCHEMBL1395930, MolPort-039-339-049

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Chemical structure information

SMILES:
COc1ccc2c3c1O[C@@H]1[C@]3(CC[C@@H](C1)O)CCN(C2)C

InChI:
InChI=1S/C17H23NO3/c1-18-8-7-17-6-5-12(19)9-14(17)21-16-13(20-2)4-3-11(10-18)15(16)17/h3-4,12,14,19H,5-10H2,1-2H3/t12-,14-,17-/m0/s1

InChIKey:
GJRMHIXYLGOZSE-JDFRZJQESA-N

DeepSMILES:
COcccccc6O[C@@H][C@]5CC[C@@H]C6)O))))CCNC%10)C

Functional groups:
CN(C)C, CO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cc2c3c(c1)OC1CCCCC31CCNC2

Scaffold Graph/Node level:
C1CC2CNCCC34CCCCC3OC(C1)C24

Scaffold Graph level:
C1CCC23CCCCC2CC2CCCC(C1)C23

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Amaryllidaceae alkaloids

ClassyFire Subclass: Galanthamine-type amaryllidaceae alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids

NP-Likeness score: 1.782

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Chemical structure download