Summary

IMPPAT Phytochemical identifier: IMPHY009285

Phytochemical name: Patchoulipyridine

Synonymous chemical names:
patchoulipyridine

External chemical identifiers:
CID:101591279

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Chemical structure information

SMILES:
Cc1ccc2c(n1)C[C@@H]1C([C@@]2(C)CC1)(C)C

InChI:
InChI=1S/C15H21N/c1-10-5-6-12-13(16-10)9-11-7-8-15(12,4)14(11,2)3/h5-6,11H,7-9H2,1-4H3/t11-,15+/m1/s1

InChIKey:
BGCPDKKBYLHBFS-ABAIWWIYSA-N

DeepSMILES:
Ccccccn6)C[C@@H]C[C@@]6C)CC5)))C)C

Functional groups:
cnc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1cnc2c(c1)C1CCC(C2)C1

Scaffold Graph/Node level:
C1CNC2CC3CCC(C3)C2C1

Scaffold Graph level:
C1CCC2C(C1)CC1CCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Methylpyridines

NP Classifier Biosynthetic pathway: Alkaloids

NP Classifier Superclass: Nicotinic acid alkaloids

NP Classifier Class: Pyridine alkaloids

NP-Likeness score: 1.279

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Chemical structure download