Summary

IMPPAT Phytochemical identifier: IMPHY009012

Phytochemical name: Picrasidine K

Synonymous chemical names:
picrasidine k

External chemical identifiers:
CID:5320554

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Chemical structure information

SMILES:
CCN(CCc1ncc(c2c1[nH]c1c2cccc1O)OC)CC

InChI:
InChI=1S/C18H23N3O2/c1-4-21(5-2)10-9-13-18-16(15(23-3)11-19-13)12-7-6-8-14(22)17(12)20-18/h6-8,11,20,22H,4-5,9-10H2,1-3H3

InChIKey:
WHNDNAFSCNSTCW-UHFFFAOYSA-N

DeepSMILES:
CCNCCcncccc6[nH]cc5cccc6O))))))))))OC))))))))CC

Functional groups:
CN(C)C, cO, cOC, c[nH]c, cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)[nH]c1cnccc12

Scaffold Graph/Node level:
C1CCC2C(C1)NC1CNCCC12

Scaffold Graph level:
C1CCC2C(C1)CC1CCCCC12

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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

NP-Likeness score: 0.491

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Chemical structure download