Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID007591

Phytochemical name: Galantamine

Synonymous chemical names:
galanthamine hydrochloride, galanthamine, Galanthamine, galantamine, lycoremine

External chemical identifiers:
CID:CID_9651, ChEMBL:CHEMBL659, ChEBI:CHEBI:42944, ZINC:ZINC000000491073, FDASRS:1T835Z585R, SureChEMBL:SCHEMBL2577, MolPort-002-521-885

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Chemical structure information

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

InChI:
InChI=1S/C17H21NO3/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/h3-6,12,14,19H,7-10H2,1-2H3/t12-,14-,17-/m0/s1

InChIKey:
ASUTZQLVASHGKV-JDFRZJQESA-N

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

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

Link to spectral information:
MSBNK-Washington_State_Univ-BML80020, MSBNK-RIKEN_NPDepo-NGA02508, MSBNK-RIKEN_NPDepo-NGA02507, MSBNK-Washington_State_Univ-BML80022, MSBNK-RIKEN_NPDepo-NGA02505, MSBNK-RIKEN_NPDepo-CB000082, MSBNK-ACES_SU-AS000530, MSBNK-RIKEN_NPDepo-NGA02506

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=CC23CCNCc4cccc(c42)OC3CC1

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: 2.115

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Chemical structure download