Summary

IMPPAT Phytochemical identifier: IMPHY007455

Phytochemical name: 9,10-Secolycoran-1alpha-ol, 3,3a-didehydro-2beta-methoxy-O9-methyl-

Synonymous chemical names:
galanthine

External chemical identifiers:
CID:97315

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Chemical structure information

SMILES:
COC1C=C2CCN3C2C(C1O)c1cc(OC)c(cc1C3)OC

InChI:
InChI=1S/C18H23NO4/c1-21-13-7-11-9-19-5-4-10-6-15(23-3)18(20)16(17(10)19)12(11)8-14(13)22-2/h6-8,15-18,20H,4-5,9H2,1-3H3

InChIKey:
VOIMPDXOQJYVDI-UHFFFAOYSA-N

DeepSMILES:
COCC=CCCNC5CC9O))cccOC))ccc6C%10)))OC

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

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=C2CCN3Cc4ccccc4C(CC1)C23

Scaffold Graph/Node level:
C1CCC2C(C1)CN1CCC3CCCC2C31

Scaffold Graph level:
C1CCC2C(C1)CC1CCC3CCCC2C31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Quinolines and derivatives

ClassyFire Subclass: Benzoquinolines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids, Tyrosine alkaloids

NP Classifier Class: Amarylidaceae alkaloids, Indolizidine alkaloids

NP-Likeness score: 2.166

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Chemical structure download