Summary

IMPPAT Phytochemical identifier: IMPHY010515

Phytochemical name: Picrasidine G

Synonymous chemical names:
picrasidine g

Chemical structure information

SMILES:
COc1cnc(c2c1c1ccccc1[nH]2)C1CCCc2[n+]1cc(OC)c1c2[nH]c2c1cccc2.[Cl-]

InChI:
InChI=1S/C28H24N4O2.ClH/c1-33-22-14-29-27(28-24(22)16-8-3-6-11-19(16)31-28)21-13-7-12-20-26-25(23(34-2)15-32(20)21)17-9-4-5-10-18(17)30-26;/h3-6,8-11,14-15,21H,7,12-13H2,1-2H3,(H,29,31);1H

InChIKey:
YGIXEKZBQFKWME-UHFFFAOYSA-N

DeepSMILES:
COccnccc6cccccc6[nH]9)))))))))CCCCc[n+]6ccOC))cc6[nH]cc5cccc6.[Cl-]

Functional groups:
[Cl-], cOC, c[n+](c)C, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1c(C3CCCc4c5[nH]c6ccccc6c5cc[n+]43)nccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1C2CCNC1C1CCCC2C3NC4CCCCC4C3CCN21

Scaffold Graph level:
C1CCC2C(C1)CC1C2CCCC1C1CCCC2C3CC4CCCCC4C3CCC21

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Alkaloids and derivatives

ClassyFire Class: Harmala alkaloids

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Tryptophan alkaloids

NP Classifier Class: Carboline alkaloids, Carbazole alkaloids

NP-Likeness score: 0.912

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Chemical structure download