Summary

IMPPAT Phytochemical identifier: IMPHY002215

Phytochemical name: (+)-1,2-Didehydropinidinol

Synonymous chemical names:
(+)-1,2-dehydropinidinol

External chemical identifiers:
CID:101651530

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Chemical structure information

SMILES:
C[C@H](C[C@H]1CCCC(=N1)C)O

InChI:
InChI=1S/C9H17NO/c1-7-4-3-5-9(10-7)6-8(2)11/h8-9,11H,3-6H2,1-2H3/t8-,9-/m1/s1

InChIKey:
BVHCJQPMRVMDBC-RKDXNWHRSA-N

DeepSMILES:
C[C@H]C[C@H]CCCC=N6)C)))))))O

Functional groups:
CC(C)=NC, CO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C1=NCCCC1

Scaffold Graph/Node level:
C1CCNCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Pyridines and derivatives

ClassyFire Subclass: Hydropyridines

NP-Likeness score: 0.767

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Chemical structure download