Summary

IMPPAT Phytochemical identifier: IMPHY011583

Phytochemical name: Virosecurinin

Synonymous chemical names:
allosecurinine, virosecurinin, virosecurinine

External chemical identifiers:
CID:928095, ChEMBL:CHEMBL1495075, ZINC:ZINC000021983191, FDASRS:D05X6H4208

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Chemical structure information

SMILES:
O=C1C=C2[C@]3(O1)C[C@H](C=C2)N1[C@H]3CCCC1

InChI:
InChI=1S/C13H15NO2/c15-12-7-9-4-5-10-8-13(9,16-12)11-3-1-2-6-14(10)11/h4-5,7,10-11H,1-3,6,8H2/t10-,11-,13+/m0/s1

InChIKey:
SWZMSZQQJRKFBP-GMXVVIOVSA-N

DeepSMILES:
O=CC=C[C@]O5)C[C@H]C=C6))N[C@H]5CCCC6

Functional groups:
CC=CC1=CC(=O)OC1, CN(C)C

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=C2C=CC3CC2(O1)C1CCCCN31

Scaffold Graph/Node level:
OC1CC2CCC3CC2(O1)C1CCCCN31

Scaffold Graph level:
CC1CC2CCC3CC2(C1)C1CCCCC31

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Indolizidines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Lysine alkaloids

NP Classifier Class: Quinolizidine alkaloids

NP-Likeness score: 3.044

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Chemical structure download